data_1wjj_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 1wjj _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 ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.512 0.196 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 31' ' ' LEU . 11.5 p -93.98 173.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 7.3 mmtm -120.23 167.06 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 75' ' ' ILE . 96.2 t -67.09 -49.06 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -8.8 35.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.98 -2.33 55.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 71.8 mt -74.84 161.59 29.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 9.0 mtmt -166.59 159.16 11.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.79 25.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.37 66.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 23' ' ' LYS . 43.5 p -101.36 158.71 15.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' GLY . 4.9 p -149.13 178.93 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.64 90.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -120.89 158.01 28.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.6 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -138.29 108.57 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -154.69 172.04 18.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.3 m -107.75 108.63 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.82 134.45 42.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -107.71 121.88 45.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -69.97 144.11 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -120.1 -51.73 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -136.17 155.98 49.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.92 106.38 4.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -136.98 150.33 48.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.2 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mm . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.7 t -142.28 137.33 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -85.16 129.57 34.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.243 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 m -125.56 143.6 50.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 tp -88.38 116.4 26.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.477 HD13 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -134.15 153.36 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 168.93 -162.63 36.41 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' OD1' ' CD1' ' A' ' 125' ' ' PHE . 11.5 t0 -133.85 -179.01 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 8.1 pt-20 -45.11 -40.71 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 13.7 p -54.25 -80.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.445 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -145.91 -173.44 17.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.9 p -135.14 165.06 26.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.499 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -150.62 164.12 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 134' ' ' SER . 3.6 mt -89.04 123.35 33.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' A' ' 78' ' ' THR . 2.4 t80 -127.25 134.92 50.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.536 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 64.0 m -90.27 134.86 34.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -124.96 132.14 53.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.408 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.2 mmm180 -72.79 171.33 12.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -49.86 -22.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 80' ' ' ARG . 22.5 m-20 -90.9 -56.95 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -56.53 -42.37 78.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.5 p -38.7 -47.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.449 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -55.61 -51.7 66.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.518 ' CD2' ' CB ' ' A' ' 119' ' ' ALA . 18.4 mt -66.67 -31.4 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.459 ' CE ' HG22 ' A' ' 68' ' ' ILE . 55.1 mmm -92.48 38.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -74.06 156.41 87.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.63 13.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.15 24.67 51.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.85 149.53 48.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.737 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.459 HG21 ' CB ' ' A' ' 123' ' ' ALA . 96.4 m -107.74 125.3 51.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 20.0 m -140.22 159.28 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.461 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 21.2 mt -114.56 160.42 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 77' ' ' PHE . 2.1 mp -121.91 115.46 22.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.05 128.14 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 65.63 26.68 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 p -69.36 141.4 54.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -114.12 156.66 23.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 mm -109.38 126.31 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.01 125.77 39.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.72 95.99 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.49 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 9.9 t80 -83.05 158.57 22.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.49 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -41.99 97.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.531 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 57.58 33.43 66.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.531 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.3 p -162.85 -174.75 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -153.37 169.08 23.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.36 164.38 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 95' ' ' LEU . 43.7 tp -96.41 135.98 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.14 171.61 32.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 18.6 t -126.22 129.9 72.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.96 176.09 10.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -65.22 -23.07 66.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.443 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 42.4 m95 -94.88 26.97 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.44 143.81 12.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.74 156.4 48.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.422 HD11 ' NE2' ' A' ' 83' ' ' GLN . 13.2 mt -77.63 156.69 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.241 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 4.6 tp10 -100.32 -57.81 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 87.2 44.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 119' ' ' ALA . 1.6 t -43.37 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.29 -84.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.07 155.26 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.797 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.553 ' HB1' ' CZ ' ' A' ' 125' ' ' PHE . . . -67.98 -65.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 2.9 t 87.11 3.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.553 ' CZ ' ' HB1' ' A' ' 123' ' ' ALA . 7.2 p90 -131.2 148.98 52.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 90.1 m -87.46 115.86 25.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 34' ' ' LYS . 20.1 t -67.09 146.14 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.2 ttpt -97.01 79.43 2.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -69.34 59.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' LYS . 13.7 m-20 -153.95 -45.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -82.55 51.99 1.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -62.41 142.38 57.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 8.4 mt -103.27 -19.28 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.512 0.196 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 8.0 p -93.19 177.71 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 7.4 mmtt -123.85 172.54 8.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.478 HG11 ' CD1' ' A' ' 133' ' ' LEU . 86.2 t -73.49 -43.68 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -6.18 29.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -94.86 -9.26 34.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.7 mt -68.89 158.58 34.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -166.5 163.09 11.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.1 13.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.18 -1.61 47.25 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.566 1.166 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.426 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 66.9 p -94.79 158.26 15.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 28' ' ' GLY . 5.3 p -150.75 172.62 15.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 37.48 93.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.426 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 94.2 m-70 -121.24 159.26 26.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.7 m -140.37 111.57 7.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.426 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -156.54 169.79 23.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -101.87 106.86 17.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -101.54 134.09 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -107.48 122.52 46.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.3 t -70.15 146.26 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.484 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -122.92 -51.36 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -134.83 160.53 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.01 113.38 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -138.06 145.8 42.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.0 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 65' ' ' GLU . 92.1 t -131.61 140.47 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 64' ' ' VAL . 37.2 mt-10 -92.26 123.6 35.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m -122.31 149.85 43.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.262 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 tt -96.9 117.44 31.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.463 HD12 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -133.14 153.39 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.77 -160.92 33.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.543 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 2.2 t70 -135.87 -179.88 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 72' ' ' THR . 2.9 pt-20 -47.5 -27.11 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.51 ' O ' ' CE ' ' A' ' 128' ' ' LYS . 38.9 p -67.37 -75.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.04 -172.74 21.0 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.424 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 2.7 p -137.32 168.12 20.25 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.473 ' CG2' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.3 162.75 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.93 100.98 13.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CE2' HD21 ' A' ' 95' ' ' LEU . 14.2 t80 -106.12 139.22 40.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.1 m -95.73 131.25 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.438 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -117.84 135.03 54.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -72.75 170.56 14.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -51.33 -21.45 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.51 -55.41 3.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' VAL . 1.3 mt-30 -57.39 -41.75 80.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.3 p -38.44 -46.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.436 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 1.5 m-20 -55.74 -54.9 38.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 119' ' ' ALA . 1.6 mt -63.84 -34.36 77.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.463 ' CE ' ' CG2' ' A' ' 68' ' ' ILE . 56.3 mmm -88.58 41.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.459 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.64 154.62 85.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.3 15.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.91 23.54 57.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.74 156.68 39.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.446 HG21 ' CA ' ' A' ' 123' ' ' ALA . 14.8 m -112.41 129.0 56.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.424 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 26.8 m -144.88 159.81 14.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.471 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 20.5 mt -111.9 157.6 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.574 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.3 mp -118.15 114.84 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -105.65 135.12 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 t30 57.9 37.82 26.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.5 p -82.63 130.29 35.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -104.34 160.43 14.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.4 mm -111.92 125.68 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.58 130.15 42.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.49 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -80.23 100.96 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 106' ' ' THR . 9.3 t80 -89.85 158.59 17.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -42.39 96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.535 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 58.19 33.2 69.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.3 p -162.88 -174.51 3.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -155.76 164.2 38.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -146.87 161.59 40.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.562 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 56.7 tp -97.39 142.84 28.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -157.94 177.78 34.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.87 134.44 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.09 176.49 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.601 ' HE3' ' CZ2' ' A' ' 114' ' ' TRP . 3.2 pttt -61.76 -24.46 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.601 ' CZ2' ' HE3' ' A' ' 113' ' ' LYS . 1.2 m95 -86.67 7.71 25.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.87 152.58 20.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -148.64 159.47 44.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.98 156.48 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.471 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -101.69 -53.04 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 86' ' ' LEU . . . 81.18 56.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.41 ' HG1' ' N ' ' A' ' 121' ' ' GLY . 1.7 t -61.06 171.23 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.41 ' N ' ' HG1' ' A' ' 120' ' ' THR . . . -57.3 -113.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.79 160.48 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.446 ' CA ' HG21 ' A' ' 92' ' ' THR . . . -90.78 138.94 31.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.85 16.45 25.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.543 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 6.4 p90 -132.26 161.31 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.5 m -106.56 117.9 35.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 36' ' ' ILE . 54.4 t -55.04 141.5 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 72' ' ' THR . 2.5 tmmm? -109.85 94.04 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.6 -7.99 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -18.21 63.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.487 ' HB2' ' CD ' ' A' ' 128' ' ' LYS . 32.9 t30 -124.66 72.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -85.36 135.23 33.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.478 ' CD1' HG11 ' A' ' 19' ' ' VAL . 1.7 mt -94.58 -21.68 18.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.504 0.192 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 31' ' ' LEU . 10.8 p -91.12 175.16 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 14.2 mmtt -121.4 169.57 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 75' ' ' ILE . 95.0 t -71.54 -41.91 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.42 -4.76 28.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.78 3.27 47.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.484 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 83.5 mt -77.02 151.57 35.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 10.7 mttp -162.85 161.6 18.98 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.68 25.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.91 14.31 55.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.41 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 71.4 p -114.19 158.37 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.429 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' GLY . 3.0 p -151.08 175.97 11.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.09 91.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.41 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 97.2 m-70 -117.96 158.54 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m -137.25 109.72 7.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -157.22 168.6 26.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 m -105.22 109.76 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.373 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -101.32 134.22 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -107.1 118.96 38.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.6 t -65.32 144.16 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.489 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.1 mm -118.51 -49.93 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -140.95 156.32 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.26 112.65 6.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -138.08 147.97 44.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.7 pt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.402 HG11 ' N ' ' A' ' 65' ' ' GLU . 77.7 t -136.91 138.49 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' N ' HG11 ' A' ' 64' ' ' VAL . 58.7 mt-10 -94.45 113.27 25.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.8 m -108.67 149.8 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 108.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' C ' HG23 ' A' ' 68' ' ' ILE . 25.2 tp -94.72 119.41 33.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.449 HG22 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.72 153.53 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.09 -169.68 42.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 12.8 t0 -132.26 -179.27 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 0.718 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -44.8 -26.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.421 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 9.0 p -73.09 -78.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.413 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.55 -172.5 19.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.15 . . . . 0.0 111.047 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 4.7 p -136.06 168.12 19.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -148.6 163.67 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.31 110.7 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.532 ' C ' ' CD1' ' A' ' 77' ' ' PHE . 1.3 t80 -114.12 142.58 46.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 82.8 m -99.32 124.61 44.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.431 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -111.68 131.8 55.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.9 mmm180 -72.11 165.55 24.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -47.17 -22.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -89.62 -61.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' LEU . 18.2 mt-30 -54.38 -37.81 65.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 83' ' ' GLN . 4.0 p -38.19 -45.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.21 -52.04 66.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.503 ' CD2' ' CB ' ' A' ' 119' ' ' ALA . 12.7 mt -63.72 -28.56 69.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.449 ' CE ' HG22 ' A' ' 68' ' ' ILE . 59.4 mmm -95.88 39.92 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -73.05 156.98 89.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.28 15.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.33 20.45 60.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -124.26 153.77 41.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.477 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 42.9 m -114.39 131.03 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.411 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 m -141.87 161.85 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 95' ' ' LEU . 39.4 mt -111.65 160.05 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' A' ' 109' ' ' LEU . 2.3 mp -124.56 119.1 28.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.45 ' NH1' ' OE1' ' A' ' 118' ' ' GLU . 18.1 mtp180 -112.4 122.97 49.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.5 t30 76.31 19.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.8 p -67.13 130.74 44.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 110' ' ' GLY . 10.0 ptm180 -104.28 155.55 18.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.9 mm -105.21 126.38 60.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.11 125.56 39.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.403 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.68 101.96 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' THR . 8.0 t80 -91.98 157.41 16.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.478 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -41.35 97.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.507 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 57.61 42.9 94.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -175.47 -177.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 110.387 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -146.92 174.61 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -155.89 166.35 33.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 75' ' ' ILE . 16.4 tp -96.1 136.62 36.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' ARG . . . -152.43 157.51 27.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.5 130.03 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.08 175.87 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -20.31 66.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -95.97 21.84 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -135.4 149.6 20.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -147.19 155.35 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.1 mt -77.21 156.02 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 6.5 tp10 -101.69 -53.55 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.503 ' CB ' ' CD2' ' A' ' 86' ' ' LEU . . . 83.45 51.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.423 ' CG2' HG23 ' A' ' 92' ' ' THR . 0.1 OUTLIER -37.63 -51.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 137.8 -74.01 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.452 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.94 163.73 29.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.477 ' HB1' ' CG2' ' A' ' 92' ' ' THR . . . -105.42 154.45 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.4 p -116.7 3.27 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.551 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 8.6 p90 -118.8 159.34 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.2 m -102.82 110.14 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 53.5 t -55.07 143.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.477 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 1.2 ttmm -106.14 88.55 2.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -16.14 11.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -26.36 61.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.477 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 37.5 t30 -105.24 60.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -85.77 124.83 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 19' ' ' VAL . 1.9 mt -86.6 -12.65 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.99 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.54 0.209 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 12.0 p -94.93 173.97 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 13.2 mmtt -120.23 171.25 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG11 ' CD1' ' A' ' 133' ' ' LEU . 82.1 t -71.97 -45.04 65.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -8.08 29.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -93.66 -9.21 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 77.9 mt -68.16 153.42 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 4.7 mtpt -160.06 160.09 26.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.72 11.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.79 -2.86 38.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 23' ' ' LYS . 71.8 p -95.72 152.17 18.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -143.98 174.75 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.3 91.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -119.48 162.2 19.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m -140.9 106.43 5.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -153.57 169.52 23.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.3 m -105.32 109.16 21.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -101.76 136.81 32.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.1 tttm -109.58 122.49 47.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -69.94 144.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.482 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.4 mm -121.0 -50.12 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -134.29 158.49 43.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -152.7 107.94 3.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -138.53 152.66 48.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 pt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 mm . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 65' ' ' GLU . 74.7 t -128.18 138.36 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HG2' ' CD1' ' A' ' 76' ' ' LEU . 28.7 mt-10 -89.67 128.09 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.19 152.15 46.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.3 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.403 HD22 ' CG1' ' A' ' 36' ' ' ILE . 6.7 tt -100.9 116.52 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.477 ' CG2' ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.14 153.57 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.2 -163.42 36.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 15.3 t0 -132.5 -179.38 5.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -45.51 -35.36 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.424 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 16.0 p -60.2 -79.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.365 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 131' ' ' ASN . . . -147.53 -172.54 17.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.1 p -136.71 168.94 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -148.17 163.28 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.434 ' CD1' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -90.27 102.07 14.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.9 t80 -105.1 141.35 36.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 77.2 m -97.33 129.66 44.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.454 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -119.5 132.32 55.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -72.66 170.1 15.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -49.47 -22.75 1.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -89.59 -58.21 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -55.63 -43.05 75.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.6 p -37.91 -44.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.408 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 17.2 t0 -55.74 -55.67 29.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 HD23 ' CB ' ' A' ' 119' ' ' ALA . 1.8 mt -63.84 -32.54 74.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.477 ' CE ' ' CG2' ' A' ' 68' ' ' ILE . 60.0 mmm -89.42 41.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -77.09 156.13 82.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.78 15.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.7 24.45 55.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.12 153.84 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.453 HG21 ' CA ' ' A' ' 123' ' ' ALA . 38.0 m -111.31 127.74 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 34.3 m -139.94 152.54 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.465 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 12.8 mt -110.34 151.38 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' A' ' 109' ' ' LEU . 2.0 mp -114.44 116.1 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 13.9 mtp180 -108.63 117.63 34.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.8 t30 78.31 25.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.8 p -71.73 131.89 43.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.88 165.04 11.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 mm -118.44 124.87 73.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.32 126.63 40.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -75.87 98.74 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 106' ' ' THR . 7.7 t80 -85.98 158.26 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -42.28 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.517 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 57.98 31.9 65.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.4 p -161.87 -174.1 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.433 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -156.3 164.09 38.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -146.37 164.56 32.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.462 ' CD2' HD21 ' A' ' 95' ' ' LEU . 48.9 tp -97.14 135.27 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -147.93 174.24 27.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.3 t -131.13 132.51 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.57 174.47 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -25.5 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -91.44 15.65 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -132.41 139.57 11.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -134.46 156.71 48.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.72 156.05 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -97.41 -54.99 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 83.71 36.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.417 ' CG2' HG22 ' A' ' 92' ' ' THR . 6.1 t -40.18 160.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -50.66 -101.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.44 165.63 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.453 ' CA ' HG21 ' A' ' 92' ' ' THR . . . -93.26 147.74 22.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.32 20.71 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.554 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.5 p90 -139.07 162.45 34.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.8 m -108.22 117.48 34.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 36' ' ' ILE . 78.6 t -55.66 141.98 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 131' ' ' ASN . 10.1 ttpp -107.61 85.51 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.58 -17.9 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.01 -37.83 88.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.454 ' O ' ' CA ' ' A' ' 73' ' ' GLY . 49.5 t30 -102.74 83.37 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -101.33 132.93 46.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.483 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -96.35 -6.29 38.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.523 0.202 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 7.8 p -96.6 176.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 2.2 mmtp -123.41 166.31 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 133' ' ' LEU . 88.0 t -67.88 -50.22 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.94 -11.8 42.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.36 -1.87 57.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.7 mt -73.81 161.18 30.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -167.96 162.42 9.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 139.6 24.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.81 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.95 25.7 26.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.413 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 81.6 p -122.37 153.17 39.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.431 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -145.45 166.88 24.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 45.12 95.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.413 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 97.6 m-70 -122.15 158.24 29.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.616 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 m -138.25 107.41 6.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -155.22 165.92 35.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -98.93 107.8 20.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 m -101.81 131.79 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.2 tttt -107.21 121.95 45.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.5 t -68.01 143.94 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -118.88 -50.03 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.67 158.95 43.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.09 113.72 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -137.75 148.76 45.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mm . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 65' ' ' GLU . 88.6 t -139.63 138.74 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.4 ' N ' HG12 ' A' ' 64' ' ' VAL . 55.5 mt-10 -95.28 123.08 38.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -116.63 143.65 45.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 108.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.6 tp -88.05 117.88 27.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.463 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -132.38 153.25 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.28 -165.07 37.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -131.72 -179.53 5.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 0.794 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -49.53 -22.95 1.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 17.6 p -73.43 -78.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.45 -172.53 15.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.405 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 19.4 p -139.95 165.53 27.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.471 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -151.54 163.81 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 134' ' ' SER . 0.2 OUTLIER -86.61 117.25 25.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.571 ' CE1' ' O ' ' A' ' 78' ' ' THR . 4.4 t80 -122.95 127.73 49.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.571 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 98.3 m -79.17 143.33 35.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -131.28 130.23 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -72.55 165.79 23.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 40.8 p-10 -46.75 -23.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -88.31 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 24.2 mt-30 -54.03 -39.53 66.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLN . 3.3 p -38.54 -42.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.46 -53.41 56.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.528 ' CD2' ' CB ' ' A' ' 119' ' ' ALA . 15.8 mt -64.14 -24.36 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.447 ' CE ' HG22 ' A' ' 68' ' ' ILE . 53.8 mmm -98.48 40.45 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -75.23 154.98 86.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.07 12.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.23 23.9 46.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -126.75 156.36 41.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.467 HG22 ' CA ' ' A' ' 123' ' ' ALA . 88.4 m -113.52 131.71 55.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.7 m -146.15 152.38 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.452 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 34.1 mt -104.52 155.24 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.59 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 1.7 mp -115.63 118.88 34.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -109.19 129.6 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 t30 63.72 29.08 14.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.8 p -74.86 127.47 33.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -102.4 157.87 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.7 mm -107.3 125.69 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -95.14 124.76 39.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.447 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.16 106.07 10.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 9.5 t80 -95.44 157.53 15.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.486 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -41.34 97.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.515 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 58.23 42.66 95.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -175.02 -176.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 110.413 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -154.74 163.97 39.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -146.06 163.35 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.59 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 28.0 tp -97.56 136.1 38.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -154.35 155.89 26.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.46 127.6 70.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.85 176.26 9.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -20.26 66.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -94.77 24.85 4.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 107.976 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.66 146.2 16.38 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.07 158.84 43.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 0.788 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.49 156.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.546 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 3.8 tp10 -97.53 -60.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 86.73 45.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -35.83 -56.48 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 144.42 -80.53 0.23 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.453 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -133.16 155.31 49.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.467 ' CA ' HG22 ' A' ' 92' ' ' THR . . . -100.17 149.41 23.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 10.11 23.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -123.59 155.65 37.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.4 m -98.47 110.77 23.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 48.0 t -54.7 140.16 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -90.44 88.13 7.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.33 63.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.12 -44.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -83.81 52.98 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -69.68 134.94 49.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.9 mt -96.4 -17.14 20.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.458 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.521 0.2 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 7.4 p -97.75 178.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 14.3 mmtt -128.39 164.9 21.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.505 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 94.0 t -64.84 -41.5 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 9.8 pt-20 -69.38 -4.3 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.67 -2.48 35.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.67 146.09 40.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -158.43 168.54 12.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.78 14.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.67 51.72 2.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.1 p -149.72 153.3 36.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' GLY . 12.5 p -146.38 174.33 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 38.84 94.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -121.39 159.42 26.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -138.36 109.28 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -155.99 169.64 23.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.465 HG21 ' CG1' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -104.31 111.17 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.416 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.1 m -104.16 134.25 45.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -110.99 121.43 45.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.3 t -70.58 147.41 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.476 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -122.12 -50.21 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -137.63 168.36 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.0 109.37 4.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.61 137.31 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.2 pt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 80' ' ' ARG . 2.4 mm . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 65' ' ' GLU . 81.0 t -127.9 138.85 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' N ' HG13 ' A' ' 64' ' ' VAL . 29.2 mt-10 -86.52 134.88 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 9.6 m -131.83 144.71 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 108.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' C ' HG23 ' A' ' 68' ' ' ILE . 1.2 tt -91.92 115.7 28.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.484 HG22 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.92 153.99 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.44 -172.82 45.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' THR . 3.3 t0 -130.02 -177.39 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.531 ' O ' ' CG2' ' A' ' 72' ' ' THR . 0.9 OUTLIER -69.12 56.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.257 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.531 ' CG2' ' O ' ' A' ' 71' ' ' GLU . 23.9 p -158.44 -54.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.405 ' C ' ' SG ' ' A' ' 74' ' ' CYS . . . -160.08 -176.25 31.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.534 ' SG ' ' CG1' ' A' ' 127' ' ' VAL . 1.7 m -147.16 163.37 36.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.467 ' CG2' ' C ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -152.61 163.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.38 104.36 16.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.1 t80 -103.88 141.89 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.599 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 88.6 m -98.31 132.86 43.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.88 131.15 53.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.449 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 1.1 mmt180 -73.06 172.3 11.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -49.81 -23.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 80' ' ' ARG . 2.1 m-20 -90.36 -57.14 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -54.77 -42.73 72.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.8 p -38.6 -46.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 58.9 m-20 -54.61 -55.08 33.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 83' ' ' GLN . 7.9 mt -63.5 -37.23 86.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.484 ' CE ' HG22 ' A' ' 68' ' ' ILE . 47.0 mmm -87.91 38.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.431 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.22 155.71 93.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.2 15.14 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.42 21.47 62.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -124.63 160.26 28.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.47 HG21 ' CG2' ' A' ' 120' ' ' THR . 61.6 m -116.4 143.19 45.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 92' ' ' THR . 23.9 m -155.18 153.75 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 29.7 mt -107.48 160.51 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.483 ' CD2' ' HG ' ' A' ' 109' ' ' LEU . 4.4 mp -121.73 114.96 21.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 12.0 mtp180 -107.78 113.18 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.4 t30 79.65 34.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.8 p -80.15 145.16 32.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -113.55 171.74 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mm -125.94 123.76 64.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.453 ' OD2' ' NH2' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -94.64 125.76 39.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -72.84 102.2 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.7 t80 -90.62 159.06 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.46 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.508 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 56.67 32.21 61.32 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.2 p -162.31 -173.25 3.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -151.34 175.14 12.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.453 ' NH2' ' OD2' ' A' ' 101' ' ' ASP . 35.6 mtm105 -155.1 166.4 33.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.483 ' HG ' ' CD2' ' A' ' 95' ' ' LEU . 20.0 tp -97.3 136.72 37.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.07 163.18 29.4 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.1 t -124.7 130.67 73.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.62 175.93 9.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -20.66 64.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -93.69 10.37 33.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 107.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -128.97 140.3 11.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.28 161.32 35.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 118' ' ' GLU . 2.7 mt -77.68 153.8 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -96.4 -57.51 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 84.36 49.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.47 ' CG2' HG21 ' A' ' 92' ' ' THR . 0.1 OUTLIER -37.84 -59.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 110.405 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.74 -62.89 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.38 143.93 30.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.662 ' CB ' ' CE2' ' A' ' 125' ' ' PHE . . . -88.35 -51.35 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER 83.39 -3.47 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.662 ' CE2' ' CB ' ' A' ' 123' ' ' ALA . 7.5 p90 -114.95 159.63 20.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.7 m -94.74 121.89 36.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.534 ' CG1' ' SG ' ' A' ' 74' ' ' CYS . 20.7 t -59.47 126.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 5.6 tttt -62.71 86.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.9 53.49 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -142.99 -47.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.475 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 65.2 t30 -91.94 45.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.493 ' OD1' ' CB ' ' A' ' 134' ' ' SER . 59.6 t-20 -63.8 103.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 3.6 mt -64.35 -12.69 44.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.493 ' CB ' ' OD1' ' A' ' 132' ' ' ASN . 1.2 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.967 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.532 0.206 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -108.24 -170.83 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 15.5 mmtt -133.73 179.29 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG11 ' CG2' ' A' ' 75' ' ' ILE . 98.3 t -74.56 -40.97 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.56 -6.49 44.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.96 1.84 48.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 53.9 mt -79.91 157.07 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 9.7 mttt -171.6 166.23 4.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.39 31.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.94 35.83 17.39 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -134.48 157.81 45.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -150.94 173.76 13.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.69 92.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -118.79 155.13 31.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.57 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -134.85 104.6 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -153.12 166.97 30.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.408 ' CG2' HG23 ' A' ' 120' ' ' THR . 7.2 m -104.65 111.17 23.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.49 134.7 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -107.63 120.19 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.7 t -65.48 145.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.2 mm -119.04 -50.81 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -136.65 163.02 31.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.51 107.52 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -139.08 148.86 43.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.1 t -129.64 138.52 54.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 76' ' ' LEU . 48.1 mt-10 -90.45 115.43 27.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.2 m -112.94 146.9 38.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' ILE . 21.2 tp -92.65 122.16 34.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.467 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -133.81 154.16 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.63 -165.1 36.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.437 1.086 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.596 ' OD1' ' CE1' ' A' ' 125' ' ' PHE . 11.3 t0 -137.12 -179.23 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -47.46 -23.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.446 ' O ' ' CE ' ' A' ' 128' ' ' LYS . 23.9 p -75.9 -78.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -146.99 -172.41 17.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.422 ' CA ' HG12 ' A' ' 19' ' ' VAL . 1.1 p -140.2 166.18 25.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.483 ' CG2' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -148.22 164.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -85.13 114.74 22.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.511 ' C ' ' CD1' ' A' ' 77' ' ' PHE . 2.0 t80 -116.09 140.37 49.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 82.9 m -99.59 129.06 45.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -121.83 131.25 53.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.9 mmt180 -72.61 172.36 10.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -50.73 -21.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.8 OUTLIER -90.94 -55.92 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.4 -43.44 88.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.7 p -38.48 -45.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -54.68 -54.36 42.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 119' ' ' ALA . 4.3 mt -65.32 -35.38 80.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.457 ' HG3' ' CB ' ' A' ' 79' ' ' ALA . 62.0 mmm -87.7 41.27 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -74.94 155.73 86.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 133.06 16.17 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.98 20.47 61.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.14 162.38 22.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.483 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 90.9 m -120.68 130.53 54.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 19.4 m -140.02 161.73 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.4 mt -117.28 154.73 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.486 ' CD2' ' HG ' ' A' ' 109' ' ' LEU . 2.2 mp -117.21 114.47 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 3.7 mtt180 -109.66 118.26 36.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.7 t30 79.51 20.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 p -66.83 144.92 56.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.82 140.01 53.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.446 HD12 ' CD1' ' A' ' 109' ' ' LEU . 12.3 mm -90.91 127.61 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.7 125.52 39.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.402 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -80.29 95.91 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.512 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 8.3 t80 -83.6 158.05 22.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -41.45 97.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' PHE . . . 57.38 38.49 87.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -167.49 179.89 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.397 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -152.88 165.88 34.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -154.29 166.64 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 95' ' ' LEU . 20.7 tp -94.49 138.16 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -152.76 169.47 31.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.47 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 53.8 t -130.35 130.43 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -80.34 174.32 11.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -23.19 67.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -91.11 12.95 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 107.962 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.3 148.88 17.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -145.01 153.56 41.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.564 HG21 ' N ' ' A' ' 118' ' ' GLU . 21.5 mt -78.18 151.87 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.564 ' N ' HG21 ' A' ' 117' ' ' ILE . 7.1 tp10 -95.47 -48.35 5.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 93' ' ' VAL . . . 81.25 40.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.413 ' CG2' HG23 ' A' ' 92' ' ' THR . 1.8 t -39.88 152.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -40.79 -93.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.29 169.1 18.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' ' 92' ' ' THR . . . -91.54 137.0 32.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.7 t -106.87 10.75 30.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CE1' ' OD1' ' A' ' 70' ' ' ASP . 5.2 p90 -129.31 160.39 33.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.1 m -102.71 114.82 29.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.69 124.15 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' ' 72' ' ' THR . 3.9 ttmm -79.05 89.72 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 59.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.09 -45.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.425 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 58.6 t30 -86.33 50.46 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -74.05 136.04 43.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 131' ' ' ASN . 0.1 OUTLIER -113.75 19.37 16.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' HG22 ' A' ' 30' ' ' THR . 5.9 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.521 0.201 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -170.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 15.8 mttt -131.47 176.53 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG11 ' CG2' ' A' ' 75' ' ' ILE . 79.2 t -73.52 -47.29 45.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 14.3 pt-20 -68.95 -7.47 35.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -10.83 35.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.29 159.0 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -166.37 165.25 10.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.31 28.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.12 43.96 8.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.407 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 62.9 p -138.12 157.45 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 110.366 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -149.14 169.34 20.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 41.11 93.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.407 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 91.4 m-70 -121.4 155.78 34.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.423 HG22 ' CE2' ' A' ' 16' ' ' PHE . 2.8 m -135.46 110.86 9.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.424 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -157.09 165.69 35.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.3 m -100.97 106.02 17.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.3 m -101.62 133.15 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.1 tttt -106.5 123.21 47.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -69.03 144.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -119.57 -51.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.27 170.6 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.65 107.67 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.02 145.41 51.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.435 HG21 ' CG2' ' A' ' 64' ' ' VAL . 13.3 pt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.407 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.6 mm . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.435 ' CG2' HG21 ' A' ' 40' ' ' ILE . 87.1 t -141.31 139.87 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 64' ' ' VAL . 22.8 mt-10 -86.29 131.74 34.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.7 m -129.37 148.98 51.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 108.313 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.404 ' CD2' ' OE1' ' A' ' 129' ' ' GLU . 22.1 tp -97.18 118.52 33.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.461 HD13 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -134.32 153.2 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.414 ' HA2' ' CG2' ' A' ' 19' ' ' VAL . . . 172.1 -157.98 28.25 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.459 1.099 . . . . 0.0 111.052 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.505 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 12.2 t0 -136.14 -179.4 5.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -50.66 -25.13 3.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.471 ' HB ' ' CG ' ' A' ' 20' ' ' GLU . 51.1 p -70.78 -79.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -140.51 -172.72 13.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.1 p -144.28 157.57 44.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.06 163.47 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.3 mt -88.65 121.75 31.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 77' ' ' PHE . 1.4 t80 -124.83 134.91 52.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.501 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 22.3 m -88.98 129.17 35.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.445 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -116.55 133.83 55.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.443 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.43 164.43 26.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -45.59 -24.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -87.03 -63.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 84' ' ' VAL . 20.8 mt-30 -52.14 -37.7 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.9 p -38.45 -41.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -55.93 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 119' ' ' ALA . 1.9 mt -63.58 -27.53 69.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.445 ' HG3' ' CB ' ' A' ' 79' ' ' ALA . 51.1 mmm -96.33 38.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.38 156.25 85.48 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 132.95 15.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.17 22.81 58.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.21 158.54 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.463 HG21 ' CA ' ' A' ' 123' ' ' ALA . 23.1 m -114.34 136.42 53.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.8 m -148.54 160.37 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.446 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 7.4 mt -114.1 159.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.471 ' CD2' ' HG ' ' A' ' 109' ' ' LEU . 2.7 mp -121.07 115.53 23.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.01 125.71 53.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 70.61 25.9 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.6 p -68.14 141.91 55.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.04 146.4 34.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mm -103.97 118.43 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.3 124.33 38.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.508 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.35 96.4 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.593 ' N ' ' O ' ' A' ' 106' ' ' THR . 5.1 t80 -81.36 159.08 24.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.21 96.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.534 ' C ' ' CG2' ' A' ' 106' ' ' THR . . . 58.9 52.66 52.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.593 ' O ' ' N ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER 169.28 179.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.365 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.556 ' N ' ' OG1' ' A' ' 106' ' ' THR . 0.0 OUTLIER -147.7 158.87 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -137.1 167.46 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.471 ' HG ' ' CD2' ' A' ' 95' ' ' LEU . 16.3 tp -95.33 139.75 31.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -158.44 168.92 34.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.67 122.2 54.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.57 175.86 7.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -21.49 66.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -95.02 25.88 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -142.47 145.93 16.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.45 155.74 47.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 118' ' ' GLU . 10.9 mt -77.45 155.92 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -97.48 -56.31 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 84.16 51.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -40.23 -53.76 2.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.36 -79.95 0.27 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.441 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.68 153.54 51.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.751 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.463 ' CA ' HG21 ' A' ' 92' ' ' THR . . . -99.47 141.76 31.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.97 14.9 30.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.059 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.505 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.0 p90 -128.69 156.93 42.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.6 m -98.98 110.19 22.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.9 t -56.66 140.23 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.49 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 4.4 ttpt -101.57 106.62 17.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.404 ' OE1' ' CD2' ' A' ' 67' ' ' LEU . 1.1 mt-10 -86.56 48.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -127.25 -44.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.49 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 49.0 t30 -92.36 43.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -62.7 136.2 57.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.454 HD12 ' CG2' ' A' ' 75' ' ' ILE . 2.5 mt -97.8 -2.09 41.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.474 0.178 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 11.8 p -93.7 175.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 2.0 mmtm -123.44 168.77 12.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 85.8 t -72.25 -38.97 63.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.76 -8.39 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.01 -9.88 32.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.54 158.57 20.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -165.8 163.31 12.55 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.63 26.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.78 29.22 29.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.425 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 69.0 p -122.34 161.27 23.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' GLY . 2.5 p -154.92 176.56 12.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.85 90.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.425 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 86.7 m-70 -121.47 158.56 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.4 m -138.16 106.32 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -152.89 166.67 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.5 m -101.53 112.81 25.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.44 137.72 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HB2' ' CE1' ' A' ' 125' ' ' PHE . 2.2 tttm -108.6 120.2 41.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -69.15 145.19 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CG1' HD21 ' A' ' 67' ' ' LEU . 2.0 mm -122.89 -51.16 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.03 167.11 20.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.77 104.24 2.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.52 135.95 50.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.1 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.4 mm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.11 140.85 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.423 ' CG ' HD13 ' A' ' 76' ' ' LEU . 35.0 mt-10 -94.0 123.23 37.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -121.65 144.09 48.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 36' ' ' ILE . 6.5 tt -87.86 118.99 27.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.489 HD13 ' CD1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -131.54 153.93 39.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.84 -172.35 45.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -131.86 -179.35 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.23 -25.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.453 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 11.6 p -73.07 -79.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.22 -172.46 18.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -138.92 167.84 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.489 ' CD1' HD13 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -151.17 163.27 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.434 ' N ' HG12 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -85.04 109.36 18.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' CE1' HD23 ' A' ' 95' ' ' LEU . 76.7 t80 -109.12 151.04 26.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.6 m -106.13 125.61 51.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.454 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -115.36 132.06 56.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.3 mmm-85 -72.78 169.81 15.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -50.75 -21.69 1.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -91.59 -55.78 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' VAL . 2.1 mt-30 -57.21 -40.26 77.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.6 p -38.17 -44.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 14.4 m-20 -57.78 -54.95 41.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.475 HD22 ' CB ' ' A' ' 119' ' ' ALA . 4.2 mt -63.53 -31.44 72.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.461 ' CE ' HG21 ' A' ' 68' ' ' ILE . 61.0 mmm -91.95 41.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -75.01 155.19 86.62 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.36 15.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.15 21.86 58.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.77 158.91 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.493 ' OG1' ' CB ' ' A' ' 123' ' ' ALA . 32.8 m -116.11 132.98 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.4 m -145.31 159.61 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 95' ' ' LEU . 7.9 mt -111.21 150.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.499 HD23 ' CE1' ' A' ' 77' ' ' PHE . 1.9 mp -114.91 114.37 25.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -106.61 147.93 28.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 48.87 26.14 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.9 p -70.62 138.55 50.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.66 159.93 15.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 mm -113.2 121.59 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -94.81 123.9 38.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.534 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -81.11 101.64 9.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.581 ' N ' ' O ' ' A' ' 106' ' ' THR . 4.9 t80 -86.77 158.84 19.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -40.61 97.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.548 ' C ' ' CG2' ' A' ' 106' ' ' THR . . . 61.47 55.02 31.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER 165.27 176.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.378 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.531 ' N ' ' OG1' ' A' ' 106' ' ' THR . 0.1 OUTLIER -138.94 160.83 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -138.68 167.5 21.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.481 ' CD2' HD22 ' A' ' 95' ' ' LEU . 15.7 tp -96.93 141.82 29.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -159.13 164.0 33.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.6 t -125.78 138.52 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -93.43 174.21 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -59.99 -28.02 67.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.411 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 5.8 m95 -86.25 5.18 35.56 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.75 145.54 17.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -143.55 157.44 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 118' ' ' GLU . 28.6 mt -78.39 156.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -98.96 -52.93 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 86' ' ' LEU . . . 81.57 46.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 121' ' ' GLY . 1.7 t -47.45 173.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.419 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -59.16 -96.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -122.47 168.49 12.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.493 ' CB ' ' OG1' ' A' ' 92' ' ' THR . . . -75.06 -62.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 2.7 t 82.35 -1.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 34' ' ' LYS . 6.7 p90 -133.61 161.44 34.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 84.2 m -104.06 124.3 48.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.02 141.57 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -97.81 85.88 3.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.96 -13.4 34.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -21.21 60.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -117.73 63.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -88.89 124.38 34.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -84.85 -5.46 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.516 0.198 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -169.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 2.4 mttm -133.27 167.22 20.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' A' ' 75' ' ' ILE . 60.4 t -62.71 -53.01 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -61.43 -13.84 23.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.51 2.31 53.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.0 mt -84.93 152.71 23.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' ' 26' ' ' THR . 1.6 mttt -163.15 167.4 11.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.5 29.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.87 8.5 67.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.527 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 43.0 p -108.2 159.67 16.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 110.368 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' GLY . 3.9 p -155.96 174.0 15.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.46 90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.57 1.169 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.527 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 79.2 m-70 -122.66 158.05 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 5.6 m -133.09 115.53 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -162.29 166.85 24.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.409 ' CG2' HG23 ' A' ' 120' ' ' THR . 20.2 m -101.46 122.16 43.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.92 135.29 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.496 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.2 tttt -107.21 118.68 37.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.241 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.9 t -66.49 147.16 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.496 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -122.08 -50.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -133.4 161.89 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.34 106.0 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.86 141.68 51.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.8 pt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.6 mm . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 65' ' ' GLU . 99.5 t -134.16 140.11 46.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' CG ' HD13 ' A' ' 76' ' ' LEU . 32.9 mt-10 -90.76 128.66 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.55 153.57 45.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tt -100.82 116.44 32.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.472 HD12 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -131.92 152.33 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.34 -167.94 41.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.467 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 2.2 t70 -128.77 -179.7 5.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 72' ' ' THR . 4.2 pt-20 -46.1 -26.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.44 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 17.3 p -67.04 -78.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.33 -173.21 21.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.434 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 8.2 p -134.58 169.05 17.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.467 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.05 162.17 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.466 HD13 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -88.29 100.91 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' A' ' 78' ' ' THR . 7.3 t80 -105.41 138.68 41.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 91.1 m -93.77 132.11 38.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -121.68 129.65 52.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.11 169.87 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -50.26 -20.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -90.69 -59.74 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 86' ' ' LEU . 30.8 mt-30 -57.55 -41.79 81.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' GLN . 5.4 p -37.35 -47.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 8.7 m-20 -55.11 -54.55 41.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 119' ' ' ALA . 2.3 mt -64.34 -28.23 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.469 ' CE ' ' CG2' ' A' ' 68' ' ' ILE . 60.6 mmm -93.16 35.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.476 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.2 158.38 88.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.32 13.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.27 27.64 51.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.95 137.78 51.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.695 ' HG1' ' N ' ' A' ' 123' ' ' ALA . 21.8 m -93.7 129.66 39.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.433 ' CA ' HG21 ' A' ' 120' ' ' THR . 35.0 m -141.36 152.69 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.435 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 4.7 mt -111.65 149.37 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 109' ' ' LEU . 2.8 mp -110.95 128.3 55.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -119.66 121.12 38.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 71.91 26.48 2.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.0 p -70.35 127.7 33.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 9.1 ptm180 -102.89 159.26 15.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -108.18 122.59 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.414 ' OD1' ' NH2' ' A' ' 99' ' ' ARG . 4.0 m-20 -95.26 124.43 39.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.418 ' CE ' ' O ' ' A' ' 106' ' ' THR . 8.5 tpt -72.99 120.78 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' GLY . 5.3 t80 -112.27 158.97 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' A' ' 106' ' ' THR . 3.5 ptpt -39.85 95.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 103' ' ' PHE . . . 54.63 41.4 73.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -170.87 -179.37 2.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 110.349 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -149.94 172.95 14.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -155.03 159.89 40.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 34.3 tp -96.71 136.15 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.427 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -152.52 178.57 29.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 t -132.92 126.37 53.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.88 170.56 16.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -59.52 -22.26 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 7.2 m95 -93.92 25.49 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -146.5 145.43 14.33 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.84 158.86 43.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 0.769 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 118' ' ' GLU . 13.9 mt -78.81 155.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.3 tt0 -94.76 -53.05 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 84.16 44.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.456 ' CG2' HG21 ' A' ' 92' ' ' THR . 2.1 t -47.83 172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.403 ' N ' ' HG1' ' A' ' 120' ' ' THR . . . -62.89 -108.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.86 178.15 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.695 ' N ' ' HG1' ' A' ' 92' ' ' THR . . . -113.86 125.76 54.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 t -91.25 3.02 55.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 6.4 p90 -117.01 160.69 20.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 60.6 m -106.72 117.23 33.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 36' ' ' ILE . 59.7 t -54.66 148.01 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.455 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 7.0 tttt -105.58 102.34 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.36 53.99 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.45 -47.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.455 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 41.2 t30 -87.55 46.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -59.41 133.77 56.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.434 ' CD1' HG12 ' A' ' 19' ' ' VAL . 6.0 mt -94.91 -14.65 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.48 0.181 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 1.3 m -102.44 -170.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 6.4 mttt -135.11 -179.98 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.485 HG12 ' CG2' ' A' ' 75' ' ' ILE . 94.2 t -74.72 -39.85 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -71.62 -8.54 54.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.57 -4.44 50.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -79.92 154.24 28.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.25 168.83 8.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.431 ' HB3' ' SD ' ' A' ' 102' ' ' MET . 18.4 Cg_endo -75.0 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.553 1.817 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.08 33.85 5.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.424 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 68.2 p -128.64 160.04 33.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -152.68 167.4 29.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.62 93.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.424 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 88.9 m-70 -122.35 144.63 48.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.8 m -124.55 113.24 17.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -161.37 168.73 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 m -104.31 108.44 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -101.71 136.99 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.4 tttt -110.92 119.94 40.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.6 t -66.32 145.64 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.458 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -121.88 -47.72 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -135.46 160.6 37.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.13 107.29 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -139.04 154.16 48.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.8 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mm . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.0 137.53 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.478 ' CG ' HD13 ' A' ' 76' ' ' LEU . 59.4 mt-10 -87.88 140.33 29.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.8 m -136.91 148.28 46.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.271 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' C ' HG23 ' A' ' 68' ' ' ILE . 14.6 tp -93.99 116.07 28.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.465 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -129.49 154.18 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 167.8 -170.14 41.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -126.63 -179.29 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -25.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.429 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.7 p -70.68 -79.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.16 -172.26 17.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.431 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 24.0 p -142.38 169.7 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.485 ' CG2' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.0 163.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.478 HD13 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -84.67 104.08 14.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.8 t80 -103.76 144.08 31.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.563 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 56.6 m -101.91 130.67 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.454 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -121.52 133.59 55.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -72.85 169.16 17.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -47.91 -23.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.4 OUTLIER -89.25 -59.35 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -54.7 -42.1 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.3 p -37.58 -45.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -58.71 -53.72 55.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 119' ' ' ALA . 12.3 mt -63.94 -31.53 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.454 ' HG3' ' CB ' ' A' ' 79' ' ' ALA . 57.8 mmm -91.11 37.36 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.453 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -71.23 157.06 90.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 131.64 14.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.62 19.85 59.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.62 151.37 41.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.454 HG23 ' CA ' ' A' ' 123' ' ' ALA . 48.2 m -111.83 127.73 55.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 35.3 m -138.51 155.79 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.516 ' HB ' ' CB ' ' A' ' 118' ' ' GLU . 34.3 mt -109.22 152.88 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 77' ' ' PHE . 1.7 mp -118.39 114.63 23.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -109.17 118.77 37.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.0 t30 80.79 21.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 p -67.02 127.91 34.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.41 146.24 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.5 mm -95.29 124.83 48.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.42 124.86 38.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.431 ' SD ' ' HB3' ' A' ' 24' ' ' PRO . 6.1 tpt -74.56 98.81 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 106' ' ' THR . 10.1 t80 -87.99 159.6 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.436 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 29.5 mtmt -40.16 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.537 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 53.46 37.16 55.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.537 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.2 p -163.15 174.29 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -143.27 163.67 32.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -153.26 166.73 31.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.478 ' CD2' HD23 ' A' ' 95' ' ' LEU . 13.8 tp -95.83 137.5 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -152.48 173.81 31.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 72.2 t -135.92 136.02 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.54 175.84 6.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -21.43 61.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -94.77 27.47 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -146.5 136.83 6.44 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.59 154.02 48.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.0 mt -78.14 156.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.6 tt0 -95.75 -60.11 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 88.84 36.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 119' ' ' ALA . 1.6 t -41.07 162.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.76 88.46 1.59 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 56.08 166.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.454 ' CA ' HG23 ' A' ' 92' ' ' THR . . . -105.69 148.57 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.5 t -101.99 19.52 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.946 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -136.98 165.72 25.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.7 m -106.61 109.97 22.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 34' ' ' LYS . 52.9 t -54.9 146.44 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 130' ' ' ASP . 3.5 ttpt -101.19 83.74 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.18 65.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -163.89 -42.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -85.19 50.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 132' ' ' ASN . 0.5 OUTLIER -76.16 143.1 41.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.05 21.04 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.418 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.471 0.177 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 14.6 p -95.49 173.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 4.1 mmtt -121.71 171.73 8.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.475 HG12 ' CG2' ' A' ' 75' ' ' ILE . 94.8 t -73.19 -42.98 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.93 -7.13 32.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -92.46 -15.31 27.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.7 154.04 37.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.22 158.4 29.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HB3' ' CE ' ' A' ' 102' ' ' MET . 18.2 Cg_endo -75.02 56.84 4.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.62 48.72 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.557 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 40.8 p -152.98 151.34 30.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -136.64 165.72 25.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.87 92.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.557 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.1 m-70 -115.2 158.87 21.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.592 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.423 HG21 ' CD ' ' A' ' 96' ' ' ARG . 32.5 m -138.91 105.7 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -154.17 163.48 40.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -97.35 108.3 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.5 m -101.74 137.19 30.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.9 tttt -108.15 120.54 42.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.5 t -67.88 145.14 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.48 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.2 mm -120.22 -48.74 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -139.01 165.24 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.82 106.3 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 142.04 50.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.3 pt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.04 141.33 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.47 ' CG ' HD12 ' A' ' 76' ' ' LEU . 20.0 mt-10 -94.52 127.93 40.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.0 m -125.58 148.82 48.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.403 ' C ' HG21 ' A' ' 68' ' ' ILE . 15.8 tp -97.31 117.82 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.468 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -133.57 153.32 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.11 -170.64 43.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.592 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -124.86 -179.38 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -31.2 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.449 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.7 p -63.47 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.83 -172.84 18.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.117 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.434 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 25.8 p -137.02 168.89 18.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.475 ' CG2' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.98 163.22 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.47 HD12 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -89.51 101.61 14.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.547 ' CE2' HD22 ' A' ' 95' ' ' LEU . 10.4 t80 -107.28 133.36 51.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 31.2 m -86.71 135.94 33.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.341 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -122.65 129.48 51.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.44 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.15 165.76 23.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -46.94 -23.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.44 ' N ' ' C ' ' A' ' 80' ' ' ARG . 1.7 m-20 -87.65 -61.53 1.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 84' ' ' VAL . 31.4 mt-30 -54.39 -39.21 67.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.9 p -38.05 -42.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.1 -56.17 25.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 119' ' ' ALA . 13.5 mt -64.07 -26.07 68.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.443 ' CE ' HG23 ' A' ' 68' ' ' ILE . 51.5 mmm -97.46 44.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.446 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.89 153.74 80.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.443 ' O ' ' HD2' ' A' ' 88' ' ' LYS . 18.1 Cg_endo -75.04 125.66 9.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.5 28.37 22.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.087 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.15 161.19 35.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.469 HG22 ' CA ' ' A' ' 123' ' ' ALA . 82.0 m -116.01 137.86 51.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.1 m -153.43 156.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.408 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 12.9 mt -106.2 156.77 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 1.5 mp -117.67 114.08 22.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' CD ' HG21 ' A' ' 30' ' ' THR . 0.4 OUTLIER -106.14 130.99 53.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.0 t30 65.9 33.03 8.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.0 p -80.64 130.49 35.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -106.44 165.03 11.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.6 mm -117.19 120.73 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.37 125.59 40.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.51 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -72.38 101.71 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 111.044 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.1 t80 -89.08 158.88 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.32 97.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.527 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 56.99 32.33 62.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.1 p -163.07 -173.95 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.393 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -153.44 163.48 39.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -147.01 156.73 43.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.248 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 35.4 tp -97.48 134.61 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -148.9 164.78 29.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.8 131.33 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.42 176.25 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -40.94 89.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -68.37 -15.92 63.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.32 145.42 16.53 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.6 ptt85 -142.75 158.78 43.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.7 mt -77.09 156.34 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -99.79 -57.51 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 83.87 55.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -59.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.62 -78.61 0.22 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.0 156.12 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.469 ' CA ' HG22 ' A' ' 92' ' ' THR . . . -97.24 140.66 31.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.25 6.21 32.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.158 . . . . 0.0 109.97 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 4.7 p90 -121.53 167.0 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.2 m -109.28 109.33 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 34' ' ' LYS . 61.9 t -54.85 147.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 131' ' ' ASN . 4.0 ttmm -104.5 96.09 6.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.72 57.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -147.31 -46.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.413 ' CB ' ' HD2' ' A' ' 128' ' ' LYS . 57.6 t30 -83.54 54.22 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -70.23 134.51 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.462 ' CD1' HG11 ' A' ' 19' ' ' VAL . 5.9 mt -95.84 -18.75 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.542 0.21 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.48 HG13 ' CD1' ' A' ' 31' ' ' LEU . 8.3 p -91.08 177.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' H ' ' CG2' ' A' ' 17' ' ' VAL . 8.1 mmtp -123.97 163.14 21.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.474 HG13 ' CD1' ' A' ' 133' ' ' LEU . 57.7 t -64.13 -49.05 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -64.77 -10.03 24.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.75 2.31 53.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 90.4 mt -79.66 150.34 30.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 5.2 mttt -158.74 157.47 28.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 141.62 26.64 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.89 10.57 56.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.2 p -118.18 158.33 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p -146.58 179.32 7.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.438 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 39.39 92.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -122.58 161.22 24.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.588 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -141.27 109.73 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -155.47 171.09 20.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.0 m -106.02 106.98 17.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.7 m -101.75 134.43 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.3 tttt -108.4 120.51 42.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.5 t -64.42 144.95 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -120.57 -50.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -135.33 159.76 40.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.32 104.78 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -138.95 146.27 40.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.2 pt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 65' ' ' GLU . 72.8 t -136.29 139.0 46.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' CG ' HD13 ' A' ' 76' ' ' LEU . 11.0 mt-10 -87.78 126.94 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -125.69 150.95 47.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.251 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.48 119.91 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.461 HD13 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -133.64 152.8 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.96 -164.28 37.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.571 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 3.9 t70 -135.07 -179.51 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 72' ' ' THR . 14.8 pt-20 -44.7 -33.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 11.5 p -62.15 -78.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.6 -173.09 19.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.8 p -140.07 164.09 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.503 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -143.99 163.61 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -89.76 102.02 14.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.9 t80 -104.4 144.85 31.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.594 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 40.9 m -100.0 132.4 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.466 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -118.76 132.89 56.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.439 ' C ' ' N ' ' A' ' 82' ' ' ASP . 6.2 mtt180 -72.5 164.94 25.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -46.49 -23.67 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.439 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -87.89 -63.38 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' LEU . 15.0 mt-30 -52.22 -36.61 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.6 p -39.54 -42.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.01 -50.95 71.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 119' ' ' ALA . 4.9 mt -63.07 -42.16 99.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.466 ' HG3' ' CB ' ' A' ' 79' ' ' ALA . 54.4 mmm -80.95 50.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.47 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -82.02 151.46 66.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.93 15.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.54 23.66 53.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.37 161.5 29.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 63.3 m -116.66 129.47 56.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 31.1 m -141.0 155.38 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 31.5 mt -110.9 151.84 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' CD2' ' HG ' ' A' ' 109' ' ' LEU . 1.8 mp -116.1 118.26 32.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 128.79 56.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 t30 69.2 22.47 6.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.9 p -70.44 133.14 46.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.74 157.74 18.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.2 mm -107.59 125.54 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.64 126.08 40.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.52 96.76 4.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 106' ' ' THR . 6.0 t80 -85.15 156.84 20.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.81 97.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.523 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 56.83 42.57 92.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -175.18 -179.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.44 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -150.46 166.19 30.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -150.67 163.72 37.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.46 ' HG ' ' CD2' ' A' ' 95' ' ' LEU . 29.2 tp -97.02 135.82 38.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.41 170.27 30.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 2.1 t -130.67 112.47 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -68.85 176.15 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -20.14 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -94.34 22.2 6.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 108.004 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.447 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -143.05 143.43 12.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -136.3 154.7 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 110.262 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.7 mt -77.36 155.52 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -97.54 -59.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 85.05 44.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 121' ' ' GLY . 1.8 t -47.83 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.441 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -63.04 -98.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.65 168.46 15.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.42 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -94.52 125.47 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.1 p -92.7 8.67 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.571 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.9 p90 -126.2 160.18 30.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 97.3 m -104.17 112.2 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.28 141.68 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 8.9 tttp -98.49 96.48 8.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.33 56.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -146.32 -46.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.404 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 51.6 t30 -85.61 64.6 8.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -82.09 138.28 34.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -107.31 10.06 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.525 0.202 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 31' ' ' LEU . 9.2 p -94.83 -178.25 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 4.6 mmtm -126.13 170.66 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.487 HG11 ' CG2' ' A' ' 75' ' ' ILE . 90.5 t -73.52 -39.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.32 -5.0 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -97.04 -8.17 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.2 mt -70.42 140.64 52.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -137.79 160.22 65.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.447 ' HB3' ' CE ' ' A' ' 102' ' ' MET . 18.4 Cg_endo -74.97 55.51 3.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.67 62.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.551 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 71.3 p -153.03 147.55 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 28' ' ' GLY . 19.0 p -133.79 168.12 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 42.79 95.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.551 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.9 m-70 -122.77 159.26 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.569 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.5 m -140.54 104.75 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -152.09 167.08 29.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -102.49 107.84 18.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.9 m -103.59 134.24 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 10.0 tttt -107.1 120.01 40.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -65.09 146.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.481 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.8 mm -120.91 -47.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -138.22 163.52 31.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.38 107.48 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -138.98 145.47 39.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 pt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.5 t -127.58 140.19 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -90.63 124.61 35.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -123.58 152.12 42.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' HG21 ' A' ' 68' ' ' ILE . 31.6 tp -100.88 120.68 40.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.447 HG23 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.38 153.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.31 -175.67 44.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD1' ' CD1' ' A' ' 125' ' ' PHE . 11.1 t0 -129.14 -178.83 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.11 -27.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.456 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 9.3 p -69.97 -79.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.14 -172.5 18.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.424 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 27.7 p -140.44 168.27 20.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.487 ' CG2' HG11 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -149.38 163.55 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 134' ' ' SER . 0.0 OUTLIER -87.09 101.84 13.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 77' ' ' PHE . 1.7 t80 -101.42 143.28 31.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 30.1 m -102.12 126.51 49.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.443 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.63 133.27 56.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.2 mtt180 -72.6 169.69 16.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -48.67 -22.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -89.84 -59.51 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -53.56 -40.31 65.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.9 p -38.59 -46.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -54.95 -56.09 23.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.434 ' CD2' ' HB1' ' A' ' 119' ' ' ALA . 13.0 mt -63.84 -30.32 71.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.447 ' CE ' HG23 ' A' ' 68' ' ' ILE . 60.4 mmm -95.67 43.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.459 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -76.17 155.66 84.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.56 17.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.7 22.74 63.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.01 154.1 46.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.486 ' CG2' ' HA ' ' A' ' 123' ' ' ALA . 96.4 m -110.52 137.12 48.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.1 m -148.54 162.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 16.4 mt -113.0 155.15 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.502 HD22 ' CE2' ' A' ' 77' ' ' PHE . 1.5 mp -120.01 113.85 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -108.39 127.87 54.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.83 19.22 3.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.4 p -69.62 128.42 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 154.86 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.1 mm -99.78 124.28 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.9 125.35 39.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.478 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -77.87 109.33 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 104' ' ' LYS . 16.6 t80 -99.82 158.27 15.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.56 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 40.7 mtmt -40.61 97.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.535 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 55.2 42.41 82.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -172.64 179.48 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.385 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -153.16 167.86 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.078 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -153.84 166.47 32.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' A' ' 95' ' ' LEU . 15.2 tp -95.49 137.45 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.41 178.31 27.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.429 ' CG1' ' C ' ' A' ' 115' ' ' GLY . 59.4 t -136.55 133.56 49.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.23 175.27 10.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.403 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -64.24 -26.7 68.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.403 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 25.1 m95 -89.67 9.83 25.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.429 ' C ' ' CG1' ' A' ' 111' ' ' VAL . . . -125.43 142.63 13.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.55 163.09 33.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.0 mt -78.17 157.29 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.457 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 1.4 tt0 -102.91 -46.18 4.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.434 ' HB1' ' CD2' ' A' ' 86' ' ' LEU . . . 75.05 63.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.476 HG23 ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -38.21 -88.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.455 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . 161.97 -34.84 0.36 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -159.72 149.86 18.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 124' ' ' SER . . . -74.8 -67.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 1.1 m 85.29 -8.82 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.489 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 3.8 p90 -127.48 156.31 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.9 m -93.85 109.99 21.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.31 148.0 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 130' ' ' ASP . 1.4 ttpt -96.03 80.28 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.78 62.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -160.11 -43.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -83.52 50.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -72.4 143.82 48.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.43 ' CD1' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.29 22.17 14.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' CE2' HG21 ' A' ' 30' ' ' THR . 4.6 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.5 0.191 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 3.1 m -103.7 -169.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -130.05 -176.85 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.45 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 91.3 t -76.59 -44.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -69.48 -7.04 34.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -3.88 51.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.8 mt -81.53 150.81 28.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.46 164.3 15.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.94 10.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.52 26.95 5.43 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.5 p -132.71 162.37 31.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -153.05 168.23 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.78 93.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -122.62 160.42 25.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.435 HG21 ' CE2' ' A' ' 16' ' ' PHE . 2.9 m -136.6 112.15 9.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -160.06 164.98 32.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -98.27 115.14 27.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.82 136.84 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -110.16 120.86 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.5 t -66.94 143.95 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.467 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.1 mm -118.04 -48.98 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -137.51 159.04 43.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.24 107.97 3.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -139.27 152.59 47.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.0 pt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 65' ' ' GLU . 70.0 t -130.24 139.26 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 64' ' ' VAL . 10.2 mt-10 -91.97 116.05 28.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -113.53 151.45 31.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.346 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.408 ' C ' HG22 ' A' ' 68' ' ' ILE . 3.4 tt -101.12 118.41 36.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.511 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -130.75 154.99 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.81 -165.19 37.98 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.603 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -136.76 -179.24 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -46.91 -38.57 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 p -59.85 -82.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.21 -172.17 12.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.512 ' SG ' ' CG1' ' A' ' 127' ' ' VAL . 2.2 m -143.58 161.26 38.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.5 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -148.04 164.14 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.454 ' N ' HG12 ' A' ' 75' ' ' ILE . 6.2 mt -88.09 122.46 31.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CE2' HD21 ' A' ' 95' ' ' LEU . 8.4 t80 -122.11 137.05 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.9 m -92.12 125.3 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.453 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -112.08 129.71 56.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.457 ' C ' ' N ' ' A' ' 82' ' ' ASP . 13.7 mtt-85 -72.88 164.48 26.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -44.32 -25.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.457 ' N ' ' C ' ' A' ' 80' ' ' ARG . 35.5 t0 -87.07 -63.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' LEU . 20.1 mt-30 -52.6 -41.62 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.9 p -36.84 -42.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -59.25 -56.42 22.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 119' ' ' ALA . 1.9 mt -64.08 -32.54 74.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.453 ' HG3' ' CB ' ' A' ' 79' ' ' ALA . 57.2 mmm -88.01 40.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.459 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -76.27 157.67 82.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.96 15.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.34 28.05 56.47 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.63 153.79 46.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 123' ' ' ALA . 15.8 m -107.75 130.36 54.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.421 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -145.83 156.49 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.5 mt -112.5 153.38 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 77' ' ' PHE . 3.1 mp -112.53 115.98 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 9.2 mtp180 -112.7 118.85 36.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 114' ' ' TRP . 1.0 OUTLIER 76.42 33.02 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -79.11 138.3 37.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 161.1 16.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 mm -112.23 121.3 64.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.72 124.63 38.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -78.39 94.84 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 106' ' ' THR . 9.7 t80 -81.56 157.49 24.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -40.92 97.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.512 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 58.05 44.34 94.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -175.65 -179.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.356 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -154.65 153.51 31.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 25.0 mtm105 -138.98 166.94 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.544 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 22.2 tp -96.69 137.92 35.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.69 163.92 30.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 2.4 t -121.38 114.12 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.21 175.77 3.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -63.7 -20.58 65.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.425 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 10.6 m95 -95.33 20.98 8.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.017 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.447 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -141.83 148.37 20.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -144.99 173.75 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.326 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 51.1 mt -94.82 157.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 16.2 tp10 -100.99 -47.12 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' A' ' 86' ' ' LEU . . . 82.44 47.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.7 t -48.55 171.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.455 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -60.53 -106.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.08 155.01 39.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.404 ' N ' HG21 ' A' ' 92' ' ' THR . . . -79.9 142.23 35.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.12 8.91 21.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.603 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 5.3 p90 -124.54 158.78 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 87.1 m -99.67 108.65 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.512 ' CG1' ' SG ' ' A' ' 74' ' ' CYS . 49.8 t -56.25 128.48 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.442 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 7.1 tttp -90.67 95.62 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.65 53.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.82 -44.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.442 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 54.3 t30 -86.89 46.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -64.14 142.85 58.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 1.3 mt -108.74 4.42 23.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.421 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CE2' HG21 ' A' ' 30' ' ' THR . 4.5 m-85 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.532 0.206 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.54 -170.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -133.72 176.36 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.526 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 98.2 t -71.76 -45.94 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -6.63 30.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.93 10.11 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.7 mt -86.95 148.15 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.07 168.05 7.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 155.38 42.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.18 16.51 78.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.566 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 43.9 p -117.56 159.46 22.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 26' ' ' THR . 5.9 p -156.5 174.16 15.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.11 78.34 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.566 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.3 m-70 -105.58 157.8 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.593 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.547 HG21 ' CE2' ' A' ' 16' ' ' PHE . 15.9 m -139.5 107.51 5.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -153.92 164.18 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.8 m -99.84 114.85 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.45 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.0 m -110.04 131.44 61.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 5.4 tttt -103.73 121.87 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -66.0 146.87 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.484 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -121.35 -51.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -139.65 158.7 43.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.61 109.82 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -138.92 147.2 42.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.0 pt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 65' ' ' GLU . 89.5 t -133.18 139.38 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' CG ' HD13 ' A' ' 76' ' ' LEU . 35.1 mt-10 -92.81 121.64 34.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.74 142.71 46.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.5 tp -88.12 121.88 31.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.455 HD13 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -135.87 153.51 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.32 -165.64 37.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.592 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 1.9 t70 -137.42 -179.72 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.12 -27.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.0 p -70.66 -75.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.44 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.66 -172.45 24.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.428 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 15.7 p -135.98 171.96 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.48 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.0 163.23 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.416 HD13 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -85.5 100.81 12.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 78' ' ' THR . 2.2 t80 -105.17 149.08 26.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.606 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 16.3 m -108.12 132.91 53.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.452 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -120.56 136.1 54.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.4 mpp_? -76.41 170.65 15.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -48.01 -23.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -87.32 -61.03 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.5 mt-30 -54.63 -44.79 73.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.4 p -37.8 -43.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.12 -54.09 50.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD22 ' CB ' ' A' ' 119' ' ' ALA . 1.6 mt -63.76 -43.64 95.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.454 ' CE ' HG22 ' A' ' 68' ' ' ILE . 55.0 mmm -76.5 54.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -84.0 151.0 59.75 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.421 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 18.4 Cg_endo -74.97 132.7 15.76 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.515 1.798 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.59 24.75 52.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.63 170.71 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.454 HG21 ' CA ' ' A' ' 123' ' ' ALA . 85.0 m -124.12 130.71 53.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.427 ' CA ' HG23 ' A' ' 120' ' ' THR . 17.5 m -141.29 159.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.439 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 3.7 mt -115.16 154.01 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 109' ' ' LEU . 2.3 mp -114.82 131.5 56.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -125.68 140.01 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m120 58.03 20.76 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 29' ' ' HIS . 85.9 p -68.26 141.85 55.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -118.91 153.88 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.1 mm -103.33 122.91 56.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.28 126.09 39.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -71.86 104.1 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.0 t80 -92.1 158.86 15.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.7 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.527 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 56.11 31.36 58.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.537 ' O ' ' N ' ' A' ' 103' ' ' PHE . 1.7 p -161.9 -174.82 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.497 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -149.08 173.22 13.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.0 mtm105 -155.39 163.68 39.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 95' ' ' LEU . 25.1 tp -97.33 135.75 38.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.36 -179.27 26.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 2.2 t -138.44 121.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.01 174.8 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.408 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -60.43 -23.32 64.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.408 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 40.9 m95 -95.27 22.04 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 108.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.432 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -136.57 144.01 15.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -143.31 156.22 44.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.6 mt -77.53 156.72 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -98.84 -50.64 4.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.472 ' CB ' HD22 ' A' ' 86' ' ' LEU . . . 80.48 45.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.45 ' CG2' HG22 ' A' ' 92' ' ' THR . 3.7 t -45.89 170.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -60.22 -100.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.48 163.61 22.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.454 ' CA ' HG21 ' A' ' 92' ' ' THR . . . -91.05 123.82 34.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.0 m -92.8 0.97 57.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.058 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.9 p90 -117.64 163.86 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.1 m -106.4 112.49 25.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 34' ' ' LYS . 54.7 t -58.32 143.88 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -90.82 85.58 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.22 61.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -167.35 -42.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -82.46 49.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -73.27 145.53 46.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.526 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.62 14.06 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.402 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.52 0.2 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 31' ' ' LEU . 9.2 p -102.8 -179.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 5.7 mmtt -123.32 167.43 13.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG11 ' CG2' ' A' ' 75' ' ' ILE . 97.1 t -67.13 -55.11 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.46 -14.4 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -11.02 58.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.9 mt -70.91 150.04 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -159.94 170.17 9.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HB3' ' SD ' ' A' ' 102' ' ' MET . 18.5 Cg_endo -74.96 137.49 21.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.433 1.754 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.63 36.71 9.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.435 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 76.5 p -130.04 155.26 46.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -152.86 165.4 35.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.08 92.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.435 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 95.0 m-70 -122.35 161.03 24.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -141.29 110.35 6.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -156.57 170.39 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.8 m -105.72 109.37 21.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.26 137.73 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.36 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -111.06 118.01 34.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.7 t -65.84 145.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.499 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.2 mm -121.21 -49.44 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -134.39 166.45 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -156.8 105.92 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.33 141.66 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.5 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.5 mm . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.427 ' HB ' ' CG2' ' A' ' 84' ' ' VAL . 81.2 t -134.54 138.0 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -87.64 133.8 33.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -131.19 147.83 52.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 108.337 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' CD2' ' HB2' ' A' ' 74' ' ' CYS . 5.4 tt -94.82 114.08 25.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.471 HD12 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -131.79 152.56 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.447 ' CA ' HG23 ' A' ' 19' ' ' VAL . . . 170.19 -156.39 26.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.532 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 3.5 t70 -136.48 -179.25 5.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 72' ' ' THR . 5.9 pt-20 -48.53 -30.76 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.432 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 17.5 p -62.33 -72.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.19 -172.63 22.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.424 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 1.1 p -137.56 155.7 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -134.11 163.37 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.58 ' C ' ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -93.67 99.85 12.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 78' ' ' THR . 16.1 t80 -103.13 150.38 23.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.599 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 24.9 m -106.2 131.84 52.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -120.9 133.96 55.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -73.17 170.86 14.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -48.51 -23.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 8.6 m-20 -89.93 -58.98 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -54.23 -41.95 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.7 p -38.36 -47.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.462 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.9 OUTLIER -53.92 -53.96 45.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.498 ' CD2' ' CB ' ' A' ' 119' ' ' ALA . 2.8 mt -63.7 -38.21 90.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.466 ' CE ' ' CG2' ' A' ' 68' ' ' ILE . 65.1 mmm -86.03 42.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.453 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -77.38 157.47 80.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.56 15.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.43 24.53 53.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.94 148.82 51.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.494 ' HB ' ' CA ' ' A' ' 122' ' ' ALA . 36.8 m -109.82 129.82 55.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 34.4 m -140.4 153.23 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.447 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 57.6 mt -105.49 153.76 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.417 HD22 ' CD2' ' A' ' 109' ' ' LEU . 1.9 mp -118.82 116.0 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.44 133.24 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 t30 63.32 27.38 15.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.9 p -73.92 127.45 32.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.52 160.28 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.67 124.79 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.13 125.97 40.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' A' ' 24' ' ' PRO . 7.6 tpt -73.16 105.14 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 105' ' ' GLY . 4.8 t80 -93.5 159.42 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.24 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.506 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 54.22 36.03 56.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.1 p -162.26 179.91 7.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.415 ' C ' ' HG3' ' A' ' 108' ' ' ARG . 1.3 ptt? -151.22 154.23 36.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 107' ' ' MET . 37.0 mtt85 -142.18 166.33 25.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.417 ' CD2' HD22 ' A' ' 95' ' ' LEU . 66.6 tp -95.65 136.87 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.47 173.37 30.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.513 ' CG1' ' C ' ' A' ' 115' ' ' GLY . 62.8 t -133.92 129.22 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -81.45 176.22 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -23.78 66.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -90.69 13.21 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 108.027 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.513 ' C ' ' CG1' ' A' ' 111' ' ' VAL . . . -132.04 144.66 16.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -142.14 158.22 43.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 118' ' ' GLU . 20.8 mt -77.18 156.66 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 17.6 tt0 -96.81 -61.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 85.07 42.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -35.62 -59.46 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 147.48 -76.09 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.494 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.49 164.9 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' ' 92' ' ' THR . . . -111.82 162.61 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -117.53 7.28 12.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.532 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.2 p90 -122.92 159.21 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 64.6 m -102.13 113.53 26.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 36' ' ' ILE . 55.2 t -54.14 142.17 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.421 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 8.7 ttpt -104.25 97.76 7.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -74.55 -1.83 23.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.74 -23.52 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.421 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 55.9 t30 -121.17 82.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.41 ' OD1' ' OG ' ' A' ' 134' ' ' SER . 5.7 t-20 -96.6 133.08 41.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.81 -3.7 51.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 76' ' ' LEU . 13.1 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.056 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.457 0.17 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -112.58 -171.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 5.6 mttm -134.24 170.31 15.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.474 HG12 ' CG2' ' A' ' 75' ' ' ILE . 82.3 t -66.45 -44.1 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.21 -8.26 37.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 1.03 54.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -82.86 153.55 25.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -166.47 170.63 5.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.06 16.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.78 41.87 5.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.532 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 70.8 p -136.71 151.24 49.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -146.92 171.38 15.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.09 93.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.532 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 92.6 m-70 -122.14 155.22 36.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 0.737 . . . . 0.0 109.583 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 3.2 m -134.52 112.13 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -160.68 161.52 32.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.422 ' CG2' HG22 ' A' ' 120' ' ' THR . 31.9 m -98.48 108.78 21.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -101.68 137.85 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -109.79 122.42 47.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -68.58 146.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -121.42 -50.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -133.77 160.48 37.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.71 106.24 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -138.98 151.08 46.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 65' ' ' GLU . 74.1 t -138.65 138.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' N ' HG11 ' A' ' 64' ' ' VAL . 81.9 mt-10 -89.11 134.94 33.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 m -133.52 144.58 49.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.315 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.29 118.58 31.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.476 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -133.73 153.53 36.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 165.47 -166.11 38.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.466 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 17.0 t0 -125.81 -179.61 4.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -46.07 -35.39 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.8 p -56.86 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.17 -173.15 18.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.093 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.475 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 1.6 p -138.13 171.86 13.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.475 ' CG2' ' C ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -152.38 162.82 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 134' ' ' SER . 0.0 OUTLIER -89.9 101.64 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.7 t80 -104.86 139.1 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 36.7 m -94.75 130.73 41.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -118.42 134.86 54.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -73.66 172.37 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -52.66 -20.2 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -93.0 -55.02 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.96 -43.13 91.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLN . 4.1 p -38.24 -38.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.08 -56.43 16.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 119' ' ' ALA . 1.8 mt -63.78 -24.8 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.454 ' CE ' HG22 ' A' ' 68' ' ' ILE . 55.9 mmm -96.01 38.3 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.45 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.69 155.72 88.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 132.28 15.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.09 21.43 59.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.87 152.37 42.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.417 HG23 ' CA ' ' A' ' 123' ' ' ALA . 62.1 m -110.56 127.79 55.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 29.1 m -140.98 156.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 8.6 mt -111.3 157.34 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 109' ' ' LEU . 1.8 mp -118.63 120.14 36.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 9.0 mtp180 -112.43 120.81 42.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.8 t30 74.94 20.21 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.8 p -66.1 122.12 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -102.88 143.02 33.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.6 mm -87.11 130.12 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.14 125.71 39.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.5 tpt -78.07 98.86 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 106' ' ' THR . 3.7 t80 -88.88 160.21 17.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.85 96.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' PHE . . . 54.77 33.29 55.61 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 103' ' ' PHE . 0.6 OUTLIER -158.4 179.96 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.395 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.0 165.37 31.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -154.53 166.06 34.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.475 ' CD2' HD22 ' A' ' 95' ' ' LEU . 38.1 tp -96.69 137.28 36.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -155.94 -179.2 30.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 32.9 t -136.44 133.18 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.06 175.67 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -23.51 65.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -94.34 26.65 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.024 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.424 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -148.82 141.6 9.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.52 158.2 44.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.1 mt -77.79 156.7 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.5 tp10 -97.61 -54.21 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.343 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 84.01 39.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.422 HG22 ' CG2' ' A' ' 32' ' ' THR . 9.5 t -43.47 166.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.429 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -54.46 -106.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.12 171.27 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.417 ' CA ' HG23 ' A' ' 92' ' ' THR . . . -98.04 127.37 43.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.38 8.61 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.466 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.2 p90 -129.4 167.0 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 94.3 m -113.81 114.99 27.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 36' ' ' ILE . 75.4 t -55.04 145.6 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.482 ' HD2' ' CB ' ' A' ' 131' ' ' ASN . 8.9 ttmm -101.3 92.14 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.96 57.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -150.89 -46.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.482 ' CB ' ' HD2' ' A' ' 128' ' ' LYS . 51.6 t30 -86.31 57.1 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 133' ' ' LEU . 52.7 t-20 -79.52 145.04 33.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -115.66 13.6 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.43 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.485 0.183 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 11.5 p -95.97 174.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -118.88 169.8 9.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 133' ' ' LEU . 98.5 t -70.58 -45.55 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.49 -10.31 33.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -88.09 -11.88 45.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.0 mt -66.66 154.11 41.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 26' ' ' THR . 0.7 OUTLIER -167.31 165.44 8.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 135.21 18.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.47 8.41 57.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.421 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 58.9 p -104.34 159.47 15.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.78 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 26' ' ' THR . 20.3 p -154.42 171.59 19.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.49 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.64 92.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.421 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 93.6 m-70 -120.39 158.35 27.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 109.615 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 50.9 m -137.88 105.47 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -152.08 169.09 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.5 m -105.79 109.04 20.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.0 m -101.99 135.8 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -108.1 119.72 40.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.6 t -64.24 143.5 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.477 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.2 mm -119.48 -50.23 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -137.03 155.64 49.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.244 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.84 107.07 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -137.91 148.76 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 pt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.2 mm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.5 t -130.78 138.58 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -97.15 97.56 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.96 148.21 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.5 tp -95.37 120.41 35.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.466 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -135.57 153.0 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 167.95 -163.04 36.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.422 ' CG ' ' OG1' ' A' ' 72' ' ' THR . 3.7 p-10 -137.49 -178.65 5.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 70' ' ' ASP . 4.2 pt-20 -38.07 -57.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.422 ' OG1' ' CG ' ' A' ' 70' ' ' ASP . 34.9 p -40.28 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.64 -172.33 19.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.402 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 2.5 p -139.72 167.29 22.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.446 ' CG2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -148.57 163.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 134' ' ' SER . 11.7 mt -86.39 122.06 29.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CE2' HD21 ' A' ' 95' ' ' LEU . 2.0 t80 -125.23 132.99 52.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 70.8 m -86.74 129.62 34.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.446 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -116.31 132.14 56.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.6 mtm180 -72.88 166.12 23.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -47.63 -22.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 80' ' ' ARG . 8.3 m-20 -88.87 -61.92 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 84' ' ' VAL . 30.7 mt-30 -53.86 -39.71 65.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' GLN . 3.0 p -39.15 -43.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -54.99 38.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.474 HD23 ' CB ' ' A' ' 119' ' ' ALA . 1.9 mt -63.98 -39.1 93.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.446 ' HG3' ' CB ' ' A' ' 79' ' ' ALA . 52.7 mmm -82.5 50.09 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.459 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -85.04 154.07 60.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.457 ' O ' ' HD2' ' A' ' 88' ' ' LYS . 18.4 Cg_endo -74.99 125.09 9.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.01 32.04 11.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.04 155.85 49.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.414 HG21 ' CG2' ' A' ' 120' ' ' THR . 89.7 m -110.1 128.45 55.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.55 152.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.424 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 11.0 mt -108.39 155.34 9.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.8 mp -119.26 130.1 55.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.2 128.14 48.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.0 18.9 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 p -65.52 128.96 38.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 137.38 44.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.4 mm -85.89 126.36 40.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.99 124.65 39.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.14 101.05 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 106' ' ' THR . 7.9 t80 -88.75 157.46 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -41.4 97.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.511 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 58.3 42.88 95.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -174.84 -177.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.425 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -151.38 167.52 27.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.95 165.1 37.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 21.1 tp -97.21 135.57 38.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.0 164.73 30.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 2.3 t -126.13 121.32 59.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.4 176.13 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -22.6 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -94.95 27.33 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.017 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.476 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -145.98 138.28 7.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.91 152.89 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.794 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 118' ' ' GLU . 10.0 mt -78.47 156.1 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.6 tt0 -98.45 -55.48 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 83.74 48.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.414 ' CG2' HG21 ' A' ' 92' ' ' THR . 1.9 t -50.62 173.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -62.31 -98.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.46 166.64 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.06 130.58 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.42 2.63 50.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 70' ' ' ASP . 5.4 p90 -120.64 161.11 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 73.2 m -103.2 108.51 19.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 48.3 t -55.54 147.98 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 131' ' ' ASN . 7.0 ttpp -108.43 97.1 6.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.04 54.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -145.81 -46.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 128' ' ' LYS . 49.4 t30 -84.31 49.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -65.55 137.29 57.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.5 mt -97.22 -11.02 24.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.529 0.204 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.507 HG12 ' CD1' ' A' ' 31' ' ' LEU . 12.8 p -88.72 173.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 7.5 mmtp -123.62 167.81 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 133' ' ' LEU . 96.2 t -67.59 -46.51 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -10.18 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -6.31 54.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.4 mt -73.14 151.54 41.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -166.18 170.56 5.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.93 19.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 31.75 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.424 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 80.9 p -126.18 155.45 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 110.433 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -152.26 171.97 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.31 92.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.424 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 93.0 m-70 -117.71 155.01 30.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.591 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 21.1 m -135.53 104.14 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -153.13 167.72 28.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.4 m -101.68 108.54 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.0 m -101.23 130.89 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -107.37 118.82 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.7 t -66.21 145.64 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.49 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.1 mm -120.5 -49.24 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -136.55 157.31 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.93 110.43 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -139.16 150.55 45.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.1 pt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.8 t -137.43 137.49 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 76' ' ' LEU . 37.7 mt-10 -89.67 130.92 35.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m -127.73 146.02 50.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -90.69 116.5 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.476 HD13 ' CB ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -133.53 154.17 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.443 ' CA ' HG23 ' A' ' 19' ' ' VAL . . . 169.98 -157.13 28.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -134.43 -179.25 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.245 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 15.8 pt-20 -50.74 -21.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.455 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 5.6 p -72.44 -77.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 131' ' ' ASN . . . -146.21 -172.46 16.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.464 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 28.0 p -135.72 169.67 17.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -155.89 163.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -87.3 119.25 27.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.576 ' CE2' HD22 ' A' ' 95' ' ' LEU . 7.2 t80 -126.12 121.81 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 m -77.01 133.79 39.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.435 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -119.7 131.07 55.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.452 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -71.97 163.65 27.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -44.87 -24.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -87.19 -62.6 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' MET . 26.9 mt-30 -53.45 -38.73 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.8 p -37.55 -42.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -55.22 29.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.523 ' CD2' ' CB ' ' A' ' 119' ' ' ALA . 6.5 mt -63.68 -22.27 66.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.449 ' CE ' HG22 ' A' ' 68' ' ' ILE . 53.7 mmm -100.04 33.57 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -71.15 158.03 88.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.68 15.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.549 1.815 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.52 21.56 61.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.99 143.29 50.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 0.72 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 36.0 m -104.33 129.58 52.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.2 m -143.91 149.22 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.483 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 40.2 mt -99.42 153.23 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.584 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 2.4 mp -116.24 117.32 29.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.448 ' NH1' ' OE2' ' A' ' 118' ' ' GLU . 16.3 mtp180 -108.54 139.48 43.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 55.97 23.91 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.0 p -68.42 122.22 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -103.54 142.36 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.8 mm -87.64 128.65 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.82 125.97 39.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.2 tpt -78.92 107.79 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 11.1 t80 -98.58 159.08 15.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.556 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -40.28 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.525 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 54.71 39.07 65.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.7 OUTLIER -165.91 178.21 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.753 . . . . 0.0 110.432 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.43 158.09 43.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -146.38 162.83 37.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.584 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 31.4 tp -96.5 137.64 35.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -155.79 170.86 33.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 t -130.94 118.53 42.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.66 175.26 8.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.587 ' HE3' ' CZ2' ' A' ' 114' ' ' TRP . 4.9 pttt -62.51 -15.92 52.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.587 ' CZ2' ' HE3' ' A' ' 113' ' ' LYS . 1.5 m95 -93.34 17.76 10.76 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.3 153.49 25.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 156.5 44.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.4 mt -77.39 156.39 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.3 tp10 -96.21 -63.64 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 88.27 42.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.423 ' CG2' HG22 ' A' ' 92' ' ' THR . 0.6 OUTLIER -37.59 -61.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 122' ' ' ALA . . . 111.71 108.21 2.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.448 ' N ' ' HB ' ' A' ' 92' ' ' THR . . . 61.52 143.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -109.42 156.66 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -106.79 18.87 21.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -142.12 166.46 24.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.5 m -109.86 115.33 29.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 36' ' ' ILE . 48.9 t -54.54 131.02 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 8.0 ttpt -79.94 86.12 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 63.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -160.15 -44.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.467 ' O ' ' CA ' ' A' ' 73' ' ' GLY . 42.3 t30 -91.21 70.21 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.407 ' ND2' ' OG ' ' A' ' 134' ' ' SER . 40.5 t-20 -87.45 149.17 24.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -116.92 6.91 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.425 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 96.4 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.19 158.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -140.19 -58.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.95 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.48 121.22 1.29 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 p -155.07 135.18 13.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.61 164.15 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.94 133.2 2.83 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 p -134.7 -56.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.428 ' CG2' ' HE3' ' A' ' 11' ' ' LYS . 24.6 m 59.33 105.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.5 76.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HE3' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -45.43 -62.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.64 86.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -171.1 155.72 4.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.6 t -70.91 -30.05 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -113.74 159.94 19.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 31' ' ' LEU . 11.5 p -93.98 173.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 7.3 mmtm -120.23 167.06 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 75' ' ' ILE . 96.2 t -67.09 -49.06 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -8.8 35.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.98 -2.33 55.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 71.8 mt -74.84 161.59 29.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 9.0 mtmt -166.59 159.16 11.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.79 25.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.37 66.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 23' ' ' LYS . 43.5 p -101.36 158.71 15.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' GLY . 4.9 p -149.13 178.93 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.64 90.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -120.89 158.01 28.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.6 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -138.29 108.57 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -154.69 172.04 18.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.3 m -107.75 108.63 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.82 134.45 42.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -107.71 121.88 45.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -69.97 144.11 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -120.1 -51.73 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -136.17 155.98 49.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.92 106.38 4.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -136.98 150.33 48.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.2 pt -53.49 155.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.416 HG22 ' CG ' ' A' ' 65' ' ' GLU . 99.6 t -79.09 101.09 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 m -72.89 157.26 88.96 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.8 t 64.64 -84.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.424 ' O ' ' CG2' ' A' ' 45' ' ' THR . 4.6 t -84.87 116.4 23.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.04 115.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.18 104.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 49' ' ' ARG . 12.1 t -160.05 137.76 9.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER 163.51 -53.3 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -75.01 -56.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 50.74 69.04 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m 57.34 90.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.959 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.79 90.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.52 112.7 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.31 -62.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.18 139.9 79.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 109.94 3.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.9 p -100.51 -178.44 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.953 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 1.1 pm0 -83.52 151.02 61.28 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 90.38 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 p -92.73 69.9 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.65 103.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mm -108.77 132.28 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.7 t -142.28 137.33 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' CG ' HG22 ' A' ' 41' ' ' VAL . 13.3 mt-10 -85.16 129.57 34.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 m -125.56 143.6 50.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 tp -88.38 116.4 26.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.477 HD13 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -134.15 153.36 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 168.93 -162.63 36.41 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' OD1' ' CD1' ' A' ' 125' ' ' PHE . 11.5 t0 -133.85 -179.01 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 8.1 pt-20 -45.11 -40.71 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 13.7 p -54.25 -80.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.445 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -145.91 -173.44 17.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.9 p -135.14 165.06 26.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.499 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -150.62 164.12 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 134' ' ' SER . 3.6 mt -89.04 123.35 33.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' A' ' 78' ' ' THR . 2.4 t80 -127.25 134.92 50.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.536 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 64.0 m -90.27 134.86 34.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -124.96 132.14 53.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.408 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.2 mmm180 -72.79 171.33 12.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -49.86 -22.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 80' ' ' ARG . 22.5 m-20 -90.9 -56.95 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -56.53 -42.37 78.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.5 p -38.7 -47.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -55.61 -51.7 66.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.518 ' CD2' ' CB ' ' A' ' 119' ' ' ALA . 18.4 mt -66.67 -31.4 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.459 ' CE ' HG22 ' A' ' 68' ' ' ILE . 55.1 mmm -92.48 38.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -74.06 156.41 87.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.63 13.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.15 24.67 51.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.85 149.53 48.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.737 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.459 HG21 ' CB ' ' A' ' 123' ' ' ALA . 96.4 m -107.74 125.3 51.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 20.0 m -140.22 159.28 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.461 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 21.2 mt -114.56 160.42 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 77' ' ' PHE . 2.1 mp -121.91 115.46 22.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.05 128.14 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 65.63 26.68 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 p -69.36 141.4 54.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -114.12 156.66 23.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 mm -109.38 126.31 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.01 125.77 39.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.72 95.99 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.49 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 9.9 t80 -83.05 158.57 22.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.49 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -41.99 97.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.531 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 57.58 33.43 66.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.531 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.3 p -162.85 -174.75 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -153.37 169.08 23.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.36 164.38 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 95' ' ' LEU . 43.7 tp -96.41 135.98 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.14 171.61 32.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 18.6 t -126.22 129.9 72.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.96 176.09 10.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -65.22 -23.07 66.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.443 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 42.4 m95 -94.88 26.97 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.44 143.81 12.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.74 156.4 48.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.422 HD11 ' NE2' ' A' ' 83' ' ' GLN . 13.2 mt -77.63 156.69 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.241 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 4.6 tp10 -100.32 -57.81 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 87.2 44.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 119' ' ' ALA . 1.6 t -43.37 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.29 -84.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.07 155.26 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.797 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.553 ' HB1' ' CZ ' ' A' ' 125' ' ' PHE . . . -67.98 -65.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 2.9 t 87.11 3.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.553 ' CZ ' ' HB1' ' A' ' 123' ' ' ALA . 7.2 p90 -131.2 148.98 52.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 90.1 m -87.46 115.86 25.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 34' ' ' LYS . 20.1 t -67.09 146.14 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.2 ttpt -97.01 79.43 2.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -69.34 59.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' LYS . 13.7 m-20 -153.95 -45.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -82.55 51.99 1.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 5.0 t-20 -62.41 142.38 57.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 8.4 mt -103.27 -19.28 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -81.49 1.13 34.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 132' ' ' ASN . 20.3 mt -108.04 -58.96 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 137' ' ' GLU . 9.4 p -48.46 149.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 136' ' ' VAL . 68.4 mt-10 -116.38 134.26 55.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -97.84 137.42 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 59.41 115.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 57.8 m -56.7 114.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -147.71 -163.6 10.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 11.1 t -136.25 -54.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 7.9 t -159.17 83.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.84 168.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.98 163.91 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.31 166.98 39.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -164.41 169.96 16.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.03 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.97 145.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.89 -131.94 6.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.4 t -171.08 87.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -151.02 117.95 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER 177.41 127.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 134.03 51.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.5 mmt-85 -92.17 160.01 15.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.57 155.84 49.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -172.21 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.431 1.753 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.26 -33.05 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -112.93 157.97 20.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 8.0 p -93.19 177.71 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 7.4 mmtt -123.85 172.54 8.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.478 HG11 ' CD1' ' A' ' 133' ' ' LEU . 86.2 t -73.49 -43.68 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -6.18 29.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -94.86 -9.26 34.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.7 mt -68.89 158.58 34.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -166.5 163.09 11.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.1 13.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.18 -1.61 47.25 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.566 1.166 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.426 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 66.9 p -94.79 158.26 15.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 28' ' ' GLY . 5.3 p -150.75 172.62 15.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 37.48 93.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.426 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 94.2 m-70 -121.24 159.26 26.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.7 m -140.37 111.57 7.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.426 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -156.54 169.79 23.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 m -101.87 106.86 17.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -101.54 134.09 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -107.48 122.52 46.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.3 t -70.15 146.26 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.484 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -122.92 -51.36 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -134.83 160.53 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.01 113.38 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -138.06 145.8 42.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.0 pt -51.72 157.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 m -78.36 87.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.0 m -61.97 157.38 51.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.84 42.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 t 69.58 48.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 p -134.62 -171.23 2.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.66 102.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.14 142.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -108.46 -66.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.3 mtt-85 -104.63 135.63 19.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.49 173.66 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.09 80.02 6.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.28 81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -174.73 105.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.34 -63.32 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.4 68.56 1.75 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.61 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -173.06 -55.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.36 153.37 34.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.48 8.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.46 76.66 9.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.68 104.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm -101.25 130.93 49.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 65' ' ' GLU . 92.1 t -131.61 140.47 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 64' ' ' VAL . 37.2 mt-10 -92.26 123.6 35.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m -122.31 149.85 43.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.262 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 tt -96.9 117.44 31.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.463 HD12 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -133.14 153.39 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.77 -160.92 33.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.543 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 2.2 t70 -135.87 -179.88 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 72' ' ' THR . 2.9 pt-20 -47.5 -27.11 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.51 ' O ' ' CE ' ' A' ' 128' ' ' LYS . 38.9 p -67.37 -75.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.04 -172.74 21.0 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.424 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 2.7 p -137.32 168.12 20.25 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.473 ' CG2' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.3 162.75 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.93 100.98 13.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CE2' HD21 ' A' ' 95' ' ' LEU . 14.2 t80 -106.12 139.22 40.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.1 m -95.73 131.25 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.438 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -117.84 135.03 54.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -72.75 170.56 14.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -51.33 -21.45 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.51 -55.41 3.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' VAL . 1.3 mt-30 -57.39 -41.75 80.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.3 p -38.44 -46.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.436 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 1.5 m-20 -55.74 -54.9 38.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 119' ' ' ALA . 1.6 mt -63.84 -34.36 77.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.463 ' CE ' ' CG2' ' A' ' 68' ' ' ILE . 56.3 mmm -88.58 41.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.459 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.64 154.62 85.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.3 15.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.91 23.54 57.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.74 156.68 39.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.446 HG21 ' CA ' ' A' ' 123' ' ' ALA . 14.8 m -112.41 129.0 56.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.424 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 26.8 m -144.88 159.81 14.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.471 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 20.5 mt -111.9 157.6 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.574 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.3 mp -118.15 114.84 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -105.65 135.12 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 t30 57.9 37.82 26.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.5 p -82.63 130.29 35.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -104.34 160.43 14.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.4 mm -111.92 125.68 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.58 130.15 42.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.49 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -80.23 100.96 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 106' ' ' THR . 9.3 t80 -89.85 158.59 17.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -42.39 96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.535 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 58.19 33.2 69.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.3 p -162.88 -174.51 3.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.525 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.2 ptt? -155.76 164.2 38.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -146.87 161.59 40.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.562 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 56.7 tp -97.39 142.84 28.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -157.94 177.78 34.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.87 134.44 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.09 176.49 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.601 ' HE3' ' CZ2' ' A' ' 114' ' ' TRP . 3.2 pttt -61.76 -24.46 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.601 ' CZ2' ' HE3' ' A' ' 113' ' ' LYS . 1.2 m95 -86.67 7.71 25.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.87 152.58 20.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -148.64 159.47 44.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.98 156.48 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.471 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -101.69 -53.04 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 86' ' ' LEU . . . 81.18 56.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.41 ' HG1' ' N ' ' A' ' 121' ' ' GLY . 1.7 t -61.06 171.23 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.41 ' N ' ' HG1' ' A' ' 120' ' ' THR . . . -57.3 -113.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.79 160.48 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.446 ' CA ' HG21 ' A' ' 92' ' ' THR . . . -90.78 138.94 31.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.85 16.45 25.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.543 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 6.4 p90 -132.26 161.31 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.5 m -106.56 117.9 35.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 36' ' ' ILE . 54.4 t -55.04 141.5 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 72' ' ' THR . 2.5 tmmm? -109.85 94.04 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.6 -7.99 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -18.21 63.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.487 ' HB2' ' CD ' ' A' ' 128' ' ' LYS . 32.9 t30 -124.66 72.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -85.36 135.23 33.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.478 ' CD1' HG11 ' A' ' 19' ' ' VAL . 1.7 mt -94.58 -21.68 18.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -3.11 39.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.8 mt -109.38 -51.62 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 137' ' ' GLU . 13.7 p -50.69 152.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.429 ' N ' HG22 ' A' ' 136' ' ' VAL . 37.0 mt-10 -121.81 132.12 54.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.525 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 21.4 m-30 -97.48 130.32 44.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.54 84.74 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.4 t -82.79 165.59 19.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -157.28 167.18 33.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.4 12.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.67 98.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.1 t -72.26 156.21 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t 179.1 -58.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -75.68 164.21 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.84 71.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.4 140.45 49.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.36 168.69 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.79 93.81 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.93 109.21 5.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 m -153.01 125.76 8.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 p -177.73 120.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.18 151.03 23.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.34 -23.28 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -150.77 149.94 26.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -165.02 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t -76.49 -31.72 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -113.77 155.02 26.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 31' ' ' LEU . 10.8 p -91.12 175.16 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 14.2 mmtt -121.4 169.57 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 75' ' ' ILE . 95.0 t -71.54 -41.91 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.42 -4.76 28.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.78 3.27 47.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.484 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 83.5 mt -77.02 151.57 35.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 10.7 mttp -162.85 161.6 18.98 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.68 25.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.91 14.31 55.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.41 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 71.4 p -114.19 158.37 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.429 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' GLY . 3.0 p -151.08 175.97 11.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.09 91.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.41 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 97.2 m-70 -117.96 158.54 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m -137.25 109.72 7.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -157.22 168.6 26.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 m -105.22 109.76 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.373 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -101.32 134.22 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -107.1 118.96 38.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.6 t -65.32 144.16 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.489 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.1 mm -118.51 -49.93 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -140.95 156.32 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.26 112.65 6.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -138.08 147.97 44.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.7 pt -52.62 157.83 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.428 HG22 ' CG ' ' A' ' 65' ' ' GLU . 5.3 t -78.92 89.27 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -64.24 157.6 69.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.76 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t 69.47 -62.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 46.8 p -79.91 -159.76 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -47.29 137.85 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.25 145.76 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 t -47.16 132.02 12.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.508 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -53.2 -50.88 79.96 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.4 Cg_endo -74.98 86.6 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.91 106.3 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.8 t -176.16 77.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.8 101.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.32 167.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.64 -67.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.86 147.64 41.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 70.02 5.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -176.96 -69.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -141.58 152.9 64.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.84 37.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.09 86.75 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -45.92 108.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm -106.82 129.19 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.402 HG11 ' N ' ' A' ' 65' ' ' GLU . 77.7 t -136.91 138.49 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CG ' HG22 ' A' ' 41' ' ' VAL . 58.7 mt-10 -94.45 113.27 25.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.8 m -108.67 149.8 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 108.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' C ' HG23 ' A' ' 68' ' ' ILE . 25.2 tp -94.72 119.41 33.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.449 HG22 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.72 153.53 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.09 -169.68 42.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 12.8 t0 -132.26 -179.27 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 0.718 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -44.8 -26.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.421 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 9.0 p -73.09 -78.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.413 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.55 -172.5 19.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.15 . . . . 0.0 111.047 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 4.7 p -136.06 168.12 19.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -148.6 163.67 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.31 110.7 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.532 ' C ' ' CD1' ' A' ' 77' ' ' PHE . 1.3 t80 -114.12 142.58 46.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 82.8 m -99.32 124.61 44.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -111.68 131.8 55.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.9 mmm180 -72.11 165.55 24.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -47.17 -22.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -89.62 -61.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' LEU . 18.2 mt-30 -54.38 -37.81 65.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 83' ' ' GLN . 4.0 p -38.19 -45.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.21 -52.04 66.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.503 ' CD2' ' CB ' ' A' ' 119' ' ' ALA . 12.7 mt -63.72 -28.56 69.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.449 ' CE ' HG22 ' A' ' 68' ' ' ILE . 59.4 mmm -95.88 39.92 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -73.05 156.98 89.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.28 15.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.33 20.45 60.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -124.26 153.77 41.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.477 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 42.9 m -114.39 131.03 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.411 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 m -141.87 161.85 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 95' ' ' LEU . 39.4 mt -111.65 160.05 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' A' ' 109' ' ' LEU . 2.3 mp -124.56 119.1 28.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.45 ' NH1' ' OE1' ' A' ' 118' ' ' GLU . 18.1 mtp180 -112.4 122.97 49.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.5 t30 76.31 19.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.8 p -67.13 130.74 44.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 110' ' ' GLY . 10.0 ptm180 -104.28 155.55 18.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.9 mm -105.21 126.38 60.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.11 125.56 39.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.403 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.68 101.96 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' THR . 8.0 t80 -91.98 157.41 16.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.478 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -41.35 97.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.507 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 57.61 42.9 94.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -175.47 -177.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 110.387 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -146.92 174.61 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -155.89 166.35 33.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 75' ' ' ILE . 16.4 tp -96.1 136.62 36.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' ARG . . . -152.43 157.51 27.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.5 130.03 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.08 175.87 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -20.31 66.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -95.97 21.84 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -135.4 149.6 20.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -147.19 155.35 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.1 mt -77.21 156.02 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 6.5 tp10 -101.69 -53.55 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.503 ' CB ' ' CD2' ' A' ' 86' ' ' LEU . . . 83.45 51.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.423 ' CG2' HG23 ' A' ' 92' ' ' THR . 0.1 OUTLIER -37.63 -51.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 137.8 -74.01 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.452 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.94 163.73 29.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.477 ' HB1' ' CG2' ' A' ' 92' ' ' THR . . . -105.42 154.45 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.4 p -116.7 3.27 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.551 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 8.6 p90 -118.8 159.34 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.2 m -102.82 110.14 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 53.5 t -55.07 143.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.477 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 1.2 ttmm -106.14 88.55 2.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -16.14 11.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -26.36 61.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.477 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 37.5 t30 -105.24 60.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.476 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 12.7 t-20 -85.77 124.83 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 19' ' ' VAL . 1.9 mt -86.6 -12.65 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 p -78.0 1.63 20.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 132' ' ' ASN . 6.6 mt -117.56 -52.14 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.535 ' O ' ' CG2' ' A' ' 106' ' ' THR . 9.8 p -44.73 167.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -136.11 128.88 30.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 10.1 m-30 -89.93 134.21 34.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 63.41 66.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 87.2 p -104.87 143.67 32.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -168.52 -150.2 6.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.61 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.52 1.8 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.7 t 58.27 87.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.5 p -93.02 95.85 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -153.66 123.48 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -175.69 153.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.68 -176.58 29.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.2 120.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -165.39 136.14 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.956 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.82 171.51 23.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.442 1.088 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.57 174.54 7.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 t -133.36 126.83 32.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 p -153.65 59.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.17 -47.35 5.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.08 122.2 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.84 162.01 0.14 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -175.36 2.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.67 -30.61 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -109.46 162.98 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 12.0 p -94.93 173.97 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 13.2 mmtt -120.23 171.25 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG11 ' CD1' ' A' ' 133' ' ' LEU . 82.1 t -71.97 -45.04 65.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -8.08 29.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -93.66 -9.21 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 77.9 mt -68.16 153.42 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 4.7 mtpt -160.06 160.09 26.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.72 11.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.79 -2.86 38.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 23' ' ' LYS . 71.8 p -95.72 152.17 18.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -143.98 174.75 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.3 91.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -119.48 162.2 19.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m -140.9 106.43 5.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -153.57 169.52 23.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.3 m -105.32 109.16 21.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -101.76 136.81 32.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.1 tttm -109.58 122.49 47.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -69.94 144.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.482 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.4 mm -121.0 -50.12 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -134.29 158.49 43.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -152.7 107.94 3.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -138.53 152.66 48.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 pt -53.28 156.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.3 t -78.67 111.86 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 m -69.88 156.73 91.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 135.78 19.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.8 t 55.77 98.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 46' ' ' ARG . 3.8 t -170.63 -48.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.432 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.451 ' N ' ' CG2' ' A' ' 45' ' ' THR . 42.8 mtt85 -148.15 -66.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -57.31 105.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 p -129.71 121.43 26.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.446 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.72 136.93 14.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.349 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.23 3.33 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.462 1.769 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 53.84 174.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.69 163.77 13.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.0 m -118.8 -56.3 2.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.47 151.92 27.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -172.56 -58.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -58.65 164.76 3.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.11 164.46 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -39.88 154.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 58.13 4.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 m 47.97 94.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -47.14 115.36 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 mm -123.7 128.86 74.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 65' ' ' GLU . 74.7 t -128.18 138.36 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HG2' ' CD1' ' A' ' 76' ' ' LEU . 28.7 mt-10 -89.67 128.09 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.19 152.15 46.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.3 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.403 HD22 ' CG1' ' A' ' 36' ' ' ILE . 6.7 tt -100.9 116.52 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.477 ' CG2' ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.14 153.57 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.2 -163.42 36.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 15.3 t0 -132.5 -179.38 5.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -45.51 -35.36 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.424 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 16.0 p -60.2 -79.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.365 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 131' ' ' ASN . . . -147.53 -172.54 17.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.1 p -136.71 168.94 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -148.17 163.28 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.434 ' CD1' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -90.27 102.07 14.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.9 t80 -105.1 141.35 36.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 77.2 m -97.33 129.66 44.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.454 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -119.5 132.32 55.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -72.66 170.1 15.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -49.47 -22.75 1.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -89.59 -58.21 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -55.63 -43.05 75.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.6 p -37.91 -44.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.408 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 17.2 t0 -55.74 -55.67 29.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 HD23 ' CB ' ' A' ' 119' ' ' ALA . 1.8 mt -63.84 -32.54 74.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.477 ' CE ' ' CG2' ' A' ' 68' ' ' ILE . 60.0 mmm -89.42 41.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -77.09 156.13 82.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.78 15.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.7 24.45 55.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.12 153.84 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.453 HG21 ' CA ' ' A' ' 123' ' ' ALA . 38.0 m -111.31 127.74 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 34.3 m -139.94 152.54 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.465 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 12.8 mt -110.34 151.38 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' A' ' 109' ' ' LEU . 2.0 mp -114.44 116.1 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 13.9 mtp180 -108.63 117.63 34.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.8 t30 78.31 25.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.8 p -71.73 131.89 43.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.88 165.04 11.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 mm -118.44 124.87 73.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.32 126.63 40.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -75.87 98.74 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 106' ' ' THR . 7.7 t80 -85.98 158.26 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -42.28 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.517 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 57.98 31.9 65.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.4 p -161.87 -174.1 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.433 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.565 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.3 ptt? -156.3 164.09 38.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -146.37 164.56 32.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.462 ' CD2' HD21 ' A' ' 95' ' ' LEU . 48.9 tp -97.14 135.27 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -147.93 174.24 27.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.3 t -131.13 132.51 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.57 174.47 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -25.5 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -91.44 15.65 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -132.41 139.57 11.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -134.46 156.71 48.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.72 156.05 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -97.41 -54.99 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 83.71 36.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.417 ' CG2' HG22 ' A' ' 92' ' ' THR . 6.1 t -40.18 160.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -50.66 -101.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.44 165.63 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.453 ' CA ' HG21 ' A' ' 92' ' ' THR . . . -93.26 147.74 22.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.32 20.71 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.554 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.5 p90 -139.07 162.45 34.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.8 m -108.22 117.48 34.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 36' ' ' ILE . 78.6 t -55.66 141.98 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 131' ' ' ASN . 10.1 ttpp -107.61 85.51 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.58 -17.9 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.01 -37.83 88.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.454 ' O ' ' CA ' ' A' ' 73' ' ' GLY . 49.5 t30 -102.74 83.37 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -101.33 132.93 46.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.483 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -96.35 -6.29 38.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.86 -6.64 53.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.6 mt -104.33 -53.97 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.425 HG23 ' N ' ' A' ' 137' ' ' GLU . 4.8 p -52.8 146.44 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 136' ' ' VAL . 24.1 mt-10 -110.81 132.44 54.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 17.6 m-30 -94.9 121.2 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.46 120.03 5.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.5 t -126.57 157.27 39.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 177.31 -171.14 43.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.15 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.4 m -128.05 -73.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.5 t -164.69 154.22 13.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 111.041 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -176.52 169.58 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.981 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -152.27 168.41 25.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.08 135.93 1.91 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.71 133.01 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.61 165.36 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.82 -173.92 43.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.5 p -140.14 169.3 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.3 t -152.42 144.72 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.7 p 177.81 115.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -98.57 166.1 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -135.49 133.74 38.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -95.41 153.9 39.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.0 40.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 16' ' ' PHE . 71.7 t -114.01 -84.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 15' ' ' VAL . 15.5 m-85 56.29 157.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 7.8 p -96.6 176.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 2.2 mmtp -123.41 166.31 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 133' ' ' LEU . 88.0 t -67.88 -50.22 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.94 -11.8 42.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.36 -1.87 57.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.7 mt -73.81 161.18 30.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -167.96 162.42 9.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 139.6 24.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.81 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.95 25.7 26.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.413 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 81.6 p -122.37 153.17 39.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.431 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -145.45 166.88 24.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 45.12 95.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.413 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 97.6 m-70 -122.15 158.24 29.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.616 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 m -138.25 107.41 6.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -155.22 165.92 35.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m -98.93 107.8 20.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 m -101.81 131.79 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.2 tttt -107.21 121.95 45.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.5 t -68.01 143.94 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -118.88 -50.03 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.67 158.95 43.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.09 113.72 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -137.75 148.76 45.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.8 pt -53.8 157.52 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -79.31 114.03 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.6 m -72.02 155.47 91.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.8 11.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t 66.15 93.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.16 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.82 -70.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 114.66 22.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 p -134.97 74.31 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.79 154.71 49.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 112.15 3.49 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.34 54.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.1 t -161.84 94.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.98 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.81 83.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -155.6 44.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.91 135.81 0.47 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -56.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.564 1.823 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.9 p -144.2 136.55 26.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 61.08 150.52 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.56 32.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.48 81.67 5.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.43 95.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mm -89.0 133.77 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 65' ' ' GLU . 88.6 t -139.63 138.74 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.4 ' N ' HG12 ' A' ' 64' ' ' VAL . 55.5 mt-10 -95.28 123.08 38.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -116.63 143.65 45.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 108.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.6 tp -88.05 117.88 27.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.463 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -132.38 153.25 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.28 -165.07 37.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -131.72 -179.53 5.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 0.794 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -49.53 -22.95 1.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 17.6 p -73.43 -78.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.45 -172.53 15.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.405 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 19.4 p -139.95 165.53 27.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.471 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -151.54 163.81 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 134' ' ' SER . 0.2 OUTLIER -86.61 117.25 25.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.571 ' CE1' ' O ' ' A' ' 78' ' ' THR . 4.4 t80 -122.95 127.73 49.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.571 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 98.3 m -79.17 143.33 35.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -131.28 130.23 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -72.55 165.79 23.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 40.8 p-10 -46.75 -23.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -88.31 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 24.2 mt-30 -54.03 -39.53 66.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLN . 3.3 p -38.54 -42.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.46 -53.41 56.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.528 ' CD2' ' CB ' ' A' ' 119' ' ' ALA . 15.8 mt -64.14 -24.36 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.447 ' CE ' HG22 ' A' ' 68' ' ' ILE . 53.8 mmm -98.48 40.45 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -75.23 154.98 86.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.07 12.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.23 23.9 46.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -126.75 156.36 41.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.467 HG22 ' CA ' ' A' ' 123' ' ' ALA . 88.4 m -113.52 131.71 55.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.7 m -146.15 152.38 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.452 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 34.1 mt -104.52 155.24 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.59 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 1.7 mp -115.63 118.88 34.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -109.19 129.6 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 t30 63.72 29.08 14.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.8 p -74.86 127.47 33.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -102.4 157.87 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.7 mm -107.3 125.69 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -95.14 124.76 39.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.447 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.16 106.07 10.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 9.5 t80 -95.44 157.53 15.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.486 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -41.34 97.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.515 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 58.23 42.66 95.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -175.02 -176.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 110.413 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.591 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.1 ptt? -154.74 163.97 39.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -146.06 163.35 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.59 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 28.0 tp -97.56 136.1 38.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -154.35 155.89 26.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.46 127.6 70.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.85 176.26 9.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -20.26 66.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -94.77 24.85 4.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 107.976 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.66 146.2 16.38 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.07 158.84 43.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 0.788 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.49 156.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.546 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 3.8 tp10 -97.53 -60.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 86.73 45.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -35.83 -56.48 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 144.42 -80.53 0.23 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.453 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -133.16 155.31 49.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.467 ' CA ' HG22 ' A' ' 92' ' ' THR . . . -100.17 149.41 23.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 10.11 23.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -123.59 155.65 37.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.4 m -98.47 110.77 23.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 48.0 t -54.7 140.16 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -90.44 88.13 7.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.33 63.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.12 -44.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -83.81 52.98 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 11.7 t-20 -69.68 134.94 49.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.9 mt -96.4 -17.14 20.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.458 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -79.3 -1.88 38.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 132' ' ' ASN . 10.3 mt -111.08 -61.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.425 HG23 ' N ' ' A' ' 137' ' ' GLU . 8.5 p -47.24 148.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 136' ' ' VAL . 19.0 mt-10 -113.94 141.19 47.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.591 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 18.1 m-30 -100.16 135.89 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.37 164.49 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 58.5 m 61.94 121.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 171.81 -123.73 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 151.21 39.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.7 p -108.33 121.2 44.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.0 p -161.81 152.18 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.82 148.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.99 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.49 160.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.5 149.89 6.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.99 162.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 t -173.12 172.23 3.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.48 133.72 5.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.2 142.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 0.802 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -146.76 84.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.455 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 93.7 t -134.28 25.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm 66.95 -172.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.29 21.41 10.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.17 156.94 78.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -165.61 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.34 -28.69 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -104.29 164.74 11.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 7.4 p -97.75 178.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 14.3 mmtt -128.39 164.9 21.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.505 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 94.0 t -64.84 -41.5 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 9.8 pt-20 -69.38 -4.3 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.67 -2.48 35.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.67 146.09 40.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -158.43 168.54 12.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.78 14.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.67 51.72 2.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.1 p -149.72 153.3 36.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' GLY . 12.5 p -146.38 174.33 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 38.84 94.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -121.39 159.42 26.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -138.36 109.28 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -155.99 169.64 23.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.465 HG21 ' CG1' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -104.31 111.17 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.416 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.1 m -104.16 134.25 45.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -110.99 121.43 45.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.3 t -70.58 147.41 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.476 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -122.12 -50.21 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -137.63 168.36 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.0 109.37 4.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.61 137.31 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.2 pt -60.11 155.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 m -94.08 146.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.56 158.91 30.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.14 17.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -78.0 -84.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.05 158.27 21.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.426 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.2 ttp85 -53.71 111.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.78 116.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -125.77 119.03 26.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' CB ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -51.05 -53.54 47.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 49' ' ' ARG . 18.4 Cg_endo -75.0 -164.23 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -148.42 123.25 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 m -156.66 101.85 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.64 89.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mp -111.91 169.36 8.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.51 158.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.77 90.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 101.83 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.63 -56.29 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.938 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -41.53 148.94 0.41 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 172.64 15.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.21 99.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.32 121.91 9.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 80' ' ' ARG . 2.4 mm -129.63 125.46 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 65' ' ' GLU . 81.0 t -127.9 138.85 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' N ' HG13 ' A' ' 64' ' ' VAL . 29.2 mt-10 -86.52 134.88 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 9.6 m -131.83 144.71 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 108.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' C ' HG23 ' A' ' 68' ' ' ILE . 1.2 tt -91.92 115.7 28.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.484 HG22 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.92 153.99 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.44 -172.82 45.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' THR . 3.3 t0 -130.02 -177.39 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.531 ' O ' ' CG2' ' A' ' 72' ' ' THR . 0.9 OUTLIER -69.12 56.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.257 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.531 ' CG2' ' O ' ' A' ' 71' ' ' GLU . 23.9 p -158.44 -54.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.405 ' C ' ' SG ' ' A' ' 74' ' ' CYS . . . -160.08 -176.25 31.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.534 ' SG ' ' CG1' ' A' ' 127' ' ' VAL . 1.7 m -147.16 163.37 36.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.467 ' CG2' ' C ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -152.61 163.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.38 104.36 16.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.1 t80 -103.88 141.89 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.599 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 88.6 m -98.31 132.86 43.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.88 131.15 53.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.449 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 1.1 mmt180 -73.06 172.3 11.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -49.81 -23.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 80' ' ' ARG . 2.1 m-20 -90.36 -57.14 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -54.77 -42.73 72.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.8 p -38.6 -46.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 58.9 m-20 -54.61 -55.08 33.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 83' ' ' GLN . 7.9 mt -63.5 -37.23 86.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.484 ' CE ' HG22 ' A' ' 68' ' ' ILE . 47.0 mmm -87.91 38.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.431 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.22 155.71 93.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.2 15.14 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.42 21.47 62.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -124.63 160.26 28.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.47 HG21 ' CG2' ' A' ' 120' ' ' THR . 61.6 m -116.4 143.19 45.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 92' ' ' THR . 23.9 m -155.18 153.75 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 29.7 mt -107.48 160.51 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.483 ' CD2' ' HG ' ' A' ' 109' ' ' LEU . 4.4 mp -121.73 114.96 21.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 12.0 mtp180 -107.78 113.18 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.4 t30 79.65 34.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.8 p -80.15 145.16 32.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -113.55 171.74 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mm -125.94 123.76 64.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.453 ' OD2' ' NH2' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -94.64 125.76 39.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -72.84 102.2 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.7 t80 -90.62 159.06 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.46 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.508 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 56.67 32.21 61.32 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.2 p -162.31 -173.25 3.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.43 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -151.34 175.14 12.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.453 ' NH2' ' OD2' ' A' ' 101' ' ' ASP . 35.6 mtm105 -155.1 166.4 33.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.483 ' HG ' ' CD2' ' A' ' 95' ' ' LEU . 20.0 tp -97.3 136.72 37.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.07 163.18 29.4 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.1 t -124.7 130.67 73.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.62 175.93 9.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -20.66 64.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -93.69 10.37 33.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 107.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -128.97 140.3 11.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.28 161.32 35.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 118' ' ' GLU . 2.7 mt -77.68 153.8 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -96.4 -57.51 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 84.36 49.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.47 ' CG2' HG21 ' A' ' 92' ' ' THR . 0.1 OUTLIER -37.84 -59.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 110.405 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.74 -62.89 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.38 143.93 30.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.662 ' CB ' ' CE2' ' A' ' 125' ' ' PHE . . . -88.35 -51.35 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER 83.39 -3.47 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.662 ' CE2' ' CB ' ' A' ' 123' ' ' ALA . 7.5 p90 -114.95 159.63 20.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.7 m -94.74 121.89 36.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.534 ' CG1' ' SG ' ' A' ' 74' ' ' CYS . 20.7 t -59.47 126.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 5.6 tttt -62.71 86.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.9 53.49 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -142.99 -47.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.475 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 65.2 t30 -91.94 45.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.493 ' OD1' ' CB ' ' A' ' 134' ' ' SER . 59.6 t-20 -63.8 103.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 3.6 mt -64.35 -12.69 44.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.493 ' CB ' ' OD1' ' A' ' 132' ' ' ASN . 1.2 p -77.74 1.55 19.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.967 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 132' ' ' ASN . 7.6 mt -120.59 -67.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.421 ' CG1' ' HA ' ' A' ' 133' ' ' LEU . 10.1 p -40.04 158.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -122.14 138.63 54.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 110.354 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 10.1 m-30 -92.22 21.1 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -135.19 95.73 3.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 24.8 p -54.32 136.68 43.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 125.62 153.01 8.34 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.3 m -45.3 144.98 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.31 95.23 2.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.92 96.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.735 . . . . 0.0 110.028 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -165.35 144.18 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.35 -133.77 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.55 117.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.986 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.28 118.48 11.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.052 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.15 -145.07 17.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m 61.34 125.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.3 m 59.15 105.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.96 105.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -77.43 175.95 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -154.48 135.65 13.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.22 153.38 81.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.2 t -74.19 -30.06 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -105.05 168.56 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -108.24 -170.83 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 15.5 mmtt -133.73 179.29 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG11 ' CG2' ' A' ' 75' ' ' ILE . 98.3 t -74.56 -40.97 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.56 -6.49 44.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.96 1.84 48.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 53.9 mt -79.91 157.07 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 9.7 mttt -171.6 166.23 4.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.39 31.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.94 35.83 17.39 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -134.48 157.81 45.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -150.94 173.76 13.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.69 92.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -118.79 155.13 31.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.57 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -134.85 104.6 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -153.12 166.97 30.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.408 ' CG2' HG23 ' A' ' 120' ' ' THR . 7.2 m -104.65 111.17 23.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.49 134.7 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -107.63 120.19 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.7 t -65.48 145.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.2 mm -119.04 -50.81 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -136.65 163.02 31.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.51 107.52 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -139.08 148.86 43.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 pt -53.52 159.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.4 t -76.81 94.6 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 m -106.48 157.78 34.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 116.73 4.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.51 -87.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 p -101.49 -94.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HD2' ' CD1' ' A' ' 76' ' ' LEU . 3.1 ptp85 -60.46 89.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.31 108.56 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.3 m -40.42 -72.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.32 133.89 6.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 80.2 2.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.786 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 177.33 92.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.44 89.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.19 102.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.047 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -164.44 92.53 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.2 m 61.35 168.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -43.74 124.14 3.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 62.44 5.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t 51.56 71.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 60.35 150.02 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.42 19.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.18 91.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.98 111.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm -115.87 129.64 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.1 t -129.64 138.52 54.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 76' ' ' LEU . 48.1 mt-10 -90.45 115.43 27.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.2 m -112.94 146.9 38.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' ILE . 21.2 tp -92.65 122.16 34.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.467 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -133.81 154.16 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.63 -165.1 36.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.437 1.086 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.596 ' OD1' ' CE1' ' A' ' 125' ' ' PHE . 11.3 t0 -137.12 -179.23 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -47.46 -23.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.446 ' O ' ' CE ' ' A' ' 128' ' ' LYS . 23.9 p -75.9 -78.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -146.99 -172.41 17.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.422 ' CA ' HG12 ' A' ' 19' ' ' VAL . 1.1 p -140.2 166.18 25.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.483 ' CG2' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -148.22 164.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -85.13 114.74 22.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.511 ' C ' ' CD1' ' A' ' 77' ' ' PHE . 2.0 t80 -116.09 140.37 49.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 82.9 m -99.59 129.06 45.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -121.83 131.25 53.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.9 mmt180 -72.61 172.36 10.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -50.73 -21.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.8 OUTLIER -90.94 -55.92 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.4 -43.44 88.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.7 p -38.48 -45.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -54.68 -54.36 42.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 119' ' ' ALA . 4.3 mt -65.32 -35.38 80.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.457 ' HG3' ' CB ' ' A' ' 79' ' ' ALA . 62.0 mmm -87.7 41.27 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -74.94 155.73 86.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 133.06 16.17 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.98 20.47 61.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.14 162.38 22.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.483 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 90.9 m -120.68 130.53 54.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 19.4 m -140.02 161.73 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.4 mt -117.28 154.73 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.486 ' CD2' ' HG ' ' A' ' 109' ' ' LEU . 2.2 mp -117.21 114.47 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 3.7 mtt180 -109.66 118.26 36.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.7 t30 79.51 20.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 p -66.83 144.92 56.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.82 140.01 53.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.446 HD12 ' CD1' ' A' ' 109' ' ' LEU . 12.3 mm -90.91 127.61 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.7 125.52 39.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.402 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -80.29 95.91 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.512 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 8.3 t80 -83.6 158.05 22.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -41.45 97.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' PHE . . . 57.38 38.49 87.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -167.49 179.89 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.397 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.585 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.1 ptt? -152.88 165.88 34.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -154.29 166.64 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 95' ' ' LEU . 20.7 tp -94.49 138.16 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -152.76 169.47 31.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.47 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 53.8 t -130.35 130.43 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -80.34 174.32 11.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -23.19 67.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -91.11 12.95 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 107.962 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.3 148.88 17.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -145.01 153.56 41.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.564 HG21 ' N ' ' A' ' 118' ' ' GLU . 21.5 mt -78.18 151.87 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.564 ' N ' HG21 ' A' ' 117' ' ' ILE . 7.1 tp10 -95.47 -48.35 5.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 93' ' ' VAL . . . 81.25 40.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.413 ' CG2' HG23 ' A' ' 92' ' ' THR . 1.8 t -39.88 152.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -40.79 -93.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.29 169.1 18.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' ' 92' ' ' THR . . . -91.54 137.0 32.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.7 t -106.87 10.75 30.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CE1' ' OD1' ' A' ' 70' ' ' ASP . 5.2 p90 -129.31 160.39 33.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.1 m -102.71 114.82 29.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.69 124.15 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' ' 72' ' ' THR . 3.9 ttmm -79.05 89.72 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 59.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.09 -45.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.425 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 58.6 t30 -86.33 50.46 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.518 ' HB3' ' CD2' ' A' ' 135' ' ' LEU . 17.9 t-20 -74.05 136.04 43.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 131' ' ' ASN . 0.1 OUTLIER -113.75 19.37 16.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.8 p -97.97 -4.38 36.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.593 ' N ' ' CD1' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -117.07 -37.53 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 106' ' ' THR . 45.2 t -49.78 164.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.48 125.25 19.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 8.2 m-30 -96.34 45.78 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -78.02 147.68 34.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 71.0 p -164.78 166.09 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -61.11 179.19 3.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 76.17 3.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 24.3 m -44.01 -57.37 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.0 m -154.61 90.78 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -162.11 172.31 16.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 110.012 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 p -134.64 165.51 25.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.84 -164.36 18.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 m -160.98 169.74 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.5 167.76 22.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.045 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.07 -148.08 14.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.6 p -163.15 140.69 7.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -171.74 163.1 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.9 p -169.28 55.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -113.6 149.02 35.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.36 55.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -170.0 156.88 6.0 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -167.35 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.21 -34.78 60.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' HG22 ' A' ' 30' ' ' THR . 5.9 m-85 -106.33 167.88 9.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -170.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 15.8 mttt -131.47 176.53 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.471 HG11 ' CG2' ' A' ' 75' ' ' ILE . 79.2 t -73.52 -47.29 45.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 14.3 pt-20 -68.95 -7.47 35.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -10.83 35.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.29 159.0 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -166.37 165.25 10.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.31 28.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.12 43.96 8.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.407 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 62.9 p -138.12 157.45 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 110.366 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -149.14 169.34 20.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 41.11 93.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.407 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 91.4 m-70 -121.4 155.78 34.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.423 HG22 ' CE2' ' A' ' 16' ' ' PHE . 2.8 m -135.46 110.86 9.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.424 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -157.09 165.69 35.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.3 m -100.97 106.02 17.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.3 m -101.62 133.15 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.1 tttt -106.5 123.21 47.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -69.03 144.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -119.57 -51.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.27 170.6 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.65 107.67 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.02 145.41 51.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.435 HG21 ' CG2' ' A' ' 64' ' ' VAL . 13.3 pt -67.2 157.89 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.453 ' CG1' ' HG3' ' A' ' 65' ' ' GLU . 16.3 m -94.55 126.91 46.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -121.49 154.95 59.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -179.21 -59.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.7 t -175.27 151.91 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -70.83 118.3 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER 87.51 104.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -146.53 158.59 43.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -49.45 164.79 0.31 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 88.46 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.19 -58.36 7.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.4 169.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.7 81.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.971 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.05 161.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.53 -59.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -60.58 163.26 9.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 177.36 8.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -43.64 147.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -126.79 152.13 74.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 132.84 15.86 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.83 86.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.77 103.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.407 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.6 mm -104.69 135.22 43.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.435 ' CG2' HG21 ' A' ' 40' ' ' ILE . 87.1 t -141.31 139.87 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 22.8 mt-10 -86.29 131.74 34.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.7 m -129.37 148.98 51.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 108.313 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.404 ' CD2' ' OE1' ' A' ' 129' ' ' GLU . 22.1 tp -97.18 118.52 33.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.461 HD13 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -134.32 153.2 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' HA2' ' CG2' ' A' ' 19' ' ' VAL . . . 172.1 -157.98 28.25 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.459 1.099 . . . . 0.0 111.052 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.505 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 12.2 t0 -136.14 -179.4 5.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -50.66 -25.13 3.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.471 ' HB ' ' CG ' ' A' ' 20' ' ' GLU . 51.1 p -70.78 -79.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -140.51 -172.72 13.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.1 p -144.28 157.57 44.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.06 163.47 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.3 mt -88.65 121.75 31.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 77' ' ' PHE . 1.4 t80 -124.83 134.91 52.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.501 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 22.3 m -88.98 129.17 35.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.445 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -116.55 133.83 55.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.443 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.43 164.43 26.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -45.59 -24.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -87.03 -63.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 84' ' ' VAL . 20.8 mt-30 -52.14 -37.7 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.9 p -38.45 -41.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -55.93 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 119' ' ' ALA . 1.9 mt -63.58 -27.53 69.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.445 ' HG3' ' CB ' ' A' ' 79' ' ' ALA . 51.1 mmm -96.33 38.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.38 156.25 85.48 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 132.95 15.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.17 22.81 58.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.21 158.54 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.463 HG21 ' CA ' ' A' ' 123' ' ' ALA . 23.1 m -114.34 136.42 53.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.8 m -148.54 160.37 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.446 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 7.4 mt -114.1 159.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.471 ' CD2' ' HG ' ' A' ' 109' ' ' LEU . 2.7 mp -121.07 115.53 23.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.01 125.71 53.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 70.61 25.9 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.6 p -68.14 141.91 55.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.04 146.4 34.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mm -103.97 118.43 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.3 124.33 38.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.508 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.35 96.4 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.593 ' N ' ' O ' ' A' ' 106' ' ' THR . 5.1 t80 -81.36 159.08 24.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.21 96.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.534 ' C ' ' CG2' ' A' ' 106' ' ' THR . . . 58.9 52.66 52.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.593 ' O ' ' N ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER 169.28 179.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.365 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.556 ' N ' ' OG1' ' A' ' 106' ' ' THR . 0.0 OUTLIER -147.7 158.87 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -137.1 167.46 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.471 ' HG ' ' CD2' ' A' ' 95' ' ' LEU . 16.3 tp -95.33 139.75 31.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -158.44 168.92 34.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.67 122.2 54.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.57 175.86 7.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -21.49 66.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -95.02 25.88 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -142.47 145.93 16.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.45 155.74 47.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 118' ' ' GLU . 10.9 mt -77.45 155.92 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -97.48 -56.31 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 84.16 51.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -40.23 -53.76 2.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.36 -79.95 0.27 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.441 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.68 153.54 51.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.751 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.463 ' CA ' HG21 ' A' ' 92' ' ' THR . . . -99.47 141.76 31.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.97 14.9 30.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.059 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.505 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.0 p90 -128.69 156.93 42.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.6 m -98.98 110.19 22.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.9 t -56.66 140.23 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.49 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 4.4 ttpt -101.57 106.62 17.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.404 ' OE1' ' CD2' ' A' ' 67' ' ' LEU . 1.1 mt-10 -86.56 48.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -127.25 -44.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.49 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 49.0 t30 -92.36 43.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.405 ' ND2' ' CD1' ' A' ' 135' ' ' LEU . 2.9 m-20 -62.7 136.2 57.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.454 HD12 ' CG2' ' A' ' 75' ' ' ILE . 2.5 mt -97.8 -2.09 41.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 p -94.6 -22.48 18.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.405 ' CD1' ' ND2' ' A' ' 132' ' ' ASN . 0.2 OUTLIER -106.85 38.85 1.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.44 ' CG1' ' HA ' ' A' ' 133' ' ' LEU . 8.7 p -155.71 145.31 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 26.1 mt-10 -115.97 134.76 54.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' GLY . 22.9 m-85 -92.62 47.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -106.1 149.85 26.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.5 p 169.44 -45.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 132.27 -163.66 23.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 77.59 3.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.71 146.23 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.46 102.6 15.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 0.0 111.043 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -168.51 141.05 2.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.97 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t 177.06 126.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.27 117.87 0.42 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t 179.32 139.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.978 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.6 157.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.29 122.95 4.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.6 t -177.1 160.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.0 m -105.74 122.94 47.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.394 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -152.33 87.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -49.09 166.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -125.1 123.19 39.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -171.84 153.12 3.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -167.17 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.1 t -71.11 -30.84 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -106.84 164.63 11.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 11.8 p -93.7 175.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 2.0 mmtm -123.44 168.77 12.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 85.8 t -72.25 -38.97 63.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.76 -8.39 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.01 -9.88 32.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.54 158.57 20.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -165.8 163.31 12.55 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.63 26.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.78 29.22 29.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.425 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 69.0 p -122.34 161.27 23.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' GLY . 2.5 p -154.92 176.56 12.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.85 90.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.425 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 86.7 m-70 -121.47 158.56 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.4 m -138.16 106.32 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -152.89 166.67 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.5 m -101.53 112.81 25.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.44 137.72 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HB2' ' CE1' ' A' ' 125' ' ' PHE . 2.2 tttm -108.6 120.2 41.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -69.15 145.19 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CG1' HD21 ' A' ' 67' ' ' LEU . 2.0 mm -122.89 -51.16 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.03 167.11 20.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.77 104.24 2.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.52 135.95 50.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.1 pt -52.08 155.29 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.8 m -85.14 109.56 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 m -103.73 157.27 34.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.555 1.818 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -143.89 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.422 ' CG2' ' N ' ' A' ' 46' ' ' ARG . 3.1 t -168.16 -47.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.531 ' NH1' ' CD2' ' A' ' 76' ' ' LEU . 7.1 mtm180 -76.64 100.4 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt 64.05 76.19 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.2 t -96.54 131.09 43.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 62.2 136.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' SER . 18.1 Cg_endo -75.0 -48.48 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 69.28 -72.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -46.64 128.49 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.61 170.54 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.11 149.43 23.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m -94.79 -55.52 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -87.68 115.88 64.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 66.11 6.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.18 86.88 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 59.03 153.61 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.51 42.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.72 94.08 9.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 108.63 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.4 mm -109.01 129.58 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.11 140.85 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' CG ' HD13 ' A' ' 76' ' ' LEU . 35.0 mt-10 -94.0 123.23 37.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -121.65 144.09 48.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 36' ' ' ILE . 6.5 tt -87.86 118.99 27.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.489 HD13 ' CD1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -131.54 153.93 39.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.84 -172.35 45.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -131.86 -179.35 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.23 -25.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.453 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 11.6 p -73.07 -79.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.22 -172.46 18.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -138.92 167.84 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.489 ' CD1' HD13 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -151.17 163.27 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.531 ' CD2' ' NH1' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -85.04 109.36 18.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' CE1' HD23 ' A' ' 95' ' ' LEU . 76.7 t80 -109.12 151.04 26.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.6 m -106.13 125.61 51.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.454 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -115.36 132.06 56.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.3 mmm-85 -72.78 169.81 15.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -50.75 -21.69 1.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -91.59 -55.78 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' VAL . 2.1 mt-30 -57.21 -40.26 77.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.6 p -38.17 -44.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 14.4 m-20 -57.78 -54.95 41.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.475 HD22 ' CB ' ' A' ' 119' ' ' ALA . 4.2 mt -63.53 -31.44 72.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.461 ' CE ' HG21 ' A' ' 68' ' ' ILE . 61.0 mmm -91.95 41.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -75.01 155.19 86.62 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.36 15.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.15 21.86 58.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.77 158.91 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.493 ' OG1' ' CB ' ' A' ' 123' ' ' ALA . 32.8 m -116.11 132.98 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.4 m -145.31 159.61 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 95' ' ' LEU . 7.9 mt -111.21 150.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.499 HD23 ' CE1' ' A' ' 77' ' ' PHE . 1.9 mp -114.91 114.37 25.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -106.61 147.93 28.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 48.87 26.14 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.9 p -70.62 138.55 50.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.66 159.93 15.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 mm -113.2 121.59 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -94.81 123.9 38.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.534 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -81.11 101.64 9.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.581 ' N ' ' O ' ' A' ' 106' ' ' THR . 4.9 t80 -86.77 158.84 19.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -40.61 97.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.548 ' C ' ' CG2' ' A' ' 106' ' ' THR . . . 61.47 55.02 31.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER 165.27 176.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.378 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.531 ' N ' ' OG1' ' A' ' 106' ' ' THR . 0.1 OUTLIER -138.94 160.83 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -138.68 167.5 21.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.481 ' CD2' HD22 ' A' ' 95' ' ' LEU . 15.7 tp -96.93 141.82 29.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -159.13 164.0 33.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.6 t -125.78 138.52 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -93.43 174.21 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -59.99 -28.02 67.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.411 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 5.8 m95 -86.25 5.18 35.56 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.75 145.54 17.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -143.55 157.44 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 118' ' ' GLU . 28.6 mt -78.39 156.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -98.96 -52.93 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 86' ' ' LEU . . . 81.57 46.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 121' ' ' GLY . 1.7 t -47.45 173.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.419 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -59.16 -96.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -122.47 168.49 12.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.493 ' CB ' ' OG1' ' A' ' 92' ' ' THR . . . -75.06 -62.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 2.7 t 82.35 -1.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 34' ' ' LYS . 6.7 p90 -133.61 161.44 34.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 84.2 m -104.06 124.3 48.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.02 141.57 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -97.81 85.88 3.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.96 -13.4 34.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -21.21 60.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -117.73 63.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.457 ' CB ' HD13 ' A' ' 135' ' ' LEU . 2.5 t-20 -88.89 124.38 34.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -84.85 -5.46 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -2.92 34.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.457 HD13 ' CB ' ' A' ' 132' ' ' ASN . 11.0 mt -115.51 32.65 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.5 p -160.12 143.65 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 25.6 mt-10 -108.07 134.21 51.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 106' ' ' THR . 22.3 m-85 -90.72 166.56 13.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 53.56 80.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.17 104.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -119.27 -167.34 13.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 66.4 5.98 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 75.1 m -167.31 156.08 9.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.67 -54.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -172.23 171.76 4.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m 64.28 155.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.95 127.66 1.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.99 154.62 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 p -163.65 159.7 21.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.23 177.18 42.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -174.75 104.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.989 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.3 p -142.83 159.54 42.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -166.34 59.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -109.01 130.72 55.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.89 68.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.38 159.64 30.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.3 36.47 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 16' ' ' PHE . 74.7 t -116.72 -80.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 15' ' ' VAL . 29.6 m-85 54.58 163.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -169.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 2.4 mttm -133.27 167.22 20.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' A' ' 75' ' ' ILE . 60.4 t -62.71 -53.01 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -61.43 -13.84 23.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.51 2.31 53.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.0 mt -84.93 152.71 23.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' ' 26' ' ' THR . 1.6 mttt -163.15 167.4 11.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.504 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.3 Cg_endo -74.97 143.5 29.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.87 8.5 67.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.527 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 43.0 p -108.2 159.67 16.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 110.368 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' GLY . 3.9 p -155.96 174.0 15.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.46 90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.57 1.169 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.527 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 79.2 m-70 -122.66 158.05 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 5.6 m -133.09 115.53 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -162.29 166.85 24.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.409 ' CG2' HG23 ' A' ' 120' ' ' THR . 20.2 m -101.46 122.16 43.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.92 135.29 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.496 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.2 tttt -107.21 118.68 37.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.241 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.9 t -66.49 147.16 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.496 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -122.08 -50.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -133.4 161.89 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.34 106.0 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.86 141.68 51.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.8 pt -57.31 157.65 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.424 ' CG1' ' HG3' ' A' ' 65' ' ' GLU . 5.0 m -86.55 100.79 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.8 m -110.2 159.06 33.39 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 t -152.65 -61.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -146.53 167.92 22.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 mtm105 69.27 -61.79 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -97.97 71.05 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.0 m -104.16 51.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -61.62 -53.04 64.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.4 Cg_endo -74.98 178.97 6.55 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.43 1.753 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.32 -53.72 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 m -111.84 153.82 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.974 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 m -54.28 114.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.98 79.72 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.64 118.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 62.04 91.07 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.32 97.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.0 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -121.22 150.0 52.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -41.48 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p -89.39 93.23 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.06 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.22 117.09 3.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.6 mm -130.48 132.77 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 65' ' ' GLU . 99.5 t -134.16 140.11 46.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' CG ' HD13 ' A' ' 76' ' ' LEU . 32.9 mt-10 -90.76 128.66 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.55 153.57 45.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tt -100.82 116.44 32.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.472 HD12 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -131.92 152.33 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.34 -167.94 41.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.467 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 2.2 t70 -128.77 -179.7 5.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 72' ' ' THR . 4.2 pt-20 -46.1 -26.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.44 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 17.3 p -67.04 -78.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.33 -173.21 21.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.434 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 8.2 p -134.58 169.05 17.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.467 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.05 162.17 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.466 HD13 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -88.29 100.91 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' A' ' 78' ' ' THR . 7.3 t80 -105.41 138.68 41.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 91.1 m -93.77 132.11 38.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -121.68 129.65 52.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.11 169.87 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -50.26 -20.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -90.69 -59.74 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 86' ' ' LEU . 30.8 mt-30 -57.55 -41.79 81.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' GLN . 5.4 p -37.35 -47.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 8.7 m-20 -55.11 -54.55 41.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 119' ' ' ALA . 2.3 mt -64.34 -28.23 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.469 ' CE ' ' CG2' ' A' ' 68' ' ' ILE . 60.6 mmm -93.16 35.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.476 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.2 158.38 88.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.32 13.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.27 27.64 51.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.95 137.78 51.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.695 ' HG1' ' N ' ' A' ' 123' ' ' ALA . 21.8 m -93.7 129.66 39.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.433 ' CA ' HG21 ' A' ' 120' ' ' THR . 35.0 m -141.36 152.69 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.435 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 4.7 mt -111.65 149.37 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 109' ' ' LEU . 2.8 mp -110.95 128.3 55.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -119.66 121.12 38.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 71.91 26.48 2.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.0 p -70.35 127.7 33.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 9.1 ptm180 -102.89 159.26 15.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -108.18 122.59 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.414 ' OD1' ' NH2' ' A' ' 99' ' ' ARG . 4.0 m-20 -95.26 124.43 39.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.418 ' CE ' ' O ' ' A' ' 106' ' ' THR . 8.5 tpt -72.99 120.78 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' GLY . 5.3 t80 -112.27 158.97 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' A' ' 106' ' ' THR . 3.5 ptpt -39.85 95.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 103' ' ' PHE . . . 54.63 41.4 73.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -170.87 -179.37 2.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 110.349 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.607 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 0.7 OUTLIER -149.94 172.95 14.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -155.03 159.89 40.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 34.3 tp -96.71 136.15 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.427 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -152.52 178.57 29.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 t -132.92 126.37 53.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.88 170.56 16.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -59.52 -22.26 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 7.2 m95 -93.92 25.49 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -146.5 145.43 14.33 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.84 158.86 43.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 0.769 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 118' ' ' GLU . 13.9 mt -78.81 155.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.3 tt0 -94.76 -53.05 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 84.16 44.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.456 ' CG2' HG21 ' A' ' 92' ' ' THR . 2.1 t -47.83 172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.403 ' N ' ' HG1' ' A' ' 120' ' ' THR . . . -62.89 -108.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.86 178.15 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.695 ' N ' ' HG1' ' A' ' 92' ' ' THR . . . -113.86 125.76 54.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 t -91.25 3.02 55.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 6.4 p90 -117.01 160.69 20.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 60.6 m -106.72 117.23 33.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 36' ' ' ILE . 59.7 t -54.66 148.01 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.455 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 7.0 tttt -105.58 102.34 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.36 53.99 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.45 -47.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.455 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 41.2 t30 -87.55 46.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 10.8 t-20 -59.41 133.77 56.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.434 ' CD1' HG12 ' A' ' 19' ' ' VAL . 6.0 mt -94.91 -14.65 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -84.07 3.81 33.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 132' ' ' ASN . 20.9 mt -113.15 -57.39 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.3 136.97 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -102.55 142.1 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.607 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 19.7 m-30 -100.25 146.33 27.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -134.06 -61.72 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t -171.59 87.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -151.18 132.53 3.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -40.76 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.77 136.75 14.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.9 p -61.44 122.46 15.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -161.98 -54.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m 62.29 157.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.52 107.49 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.41 151.05 14.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.62 143.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.65 161.65 1.69 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.23 166.82 14.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.0 p -124.94 130.66 52.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -162.43 57.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.28 146.18 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -120.76 92.4 3.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.28 153.29 1.91 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -166.22 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.1 t -72.89 -31.44 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -102.68 160.8 14.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 1.3 m -102.44 -170.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 6.4 mttt -135.11 -179.98 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.485 HG12 ' CG2' ' A' ' 75' ' ' ILE . 94.2 t -74.72 -39.85 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -71.62 -8.54 54.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.57 -4.44 50.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -79.92 154.24 28.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.25 168.83 8.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.592 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.4 Cg_endo -75.0 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.553 1.817 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.08 33.85 5.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.424 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 68.2 p -128.64 160.04 33.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -152.68 167.4 29.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.62 93.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.424 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 88.9 m-70 -122.35 144.63 48.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.8 m -124.55 113.24 17.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -161.37 168.73 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 m -104.31 108.44 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -101.71 136.99 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.4 tttt -110.92 119.94 40.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.6 t -66.32 145.64 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.458 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -121.88 -47.72 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -135.46 160.6 37.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.13 107.29 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -139.04 154.16 48.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.8 pt -52.88 157.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.466 ' CG2' ' HG3' ' A' ' 65' ' ' GLU . 38.1 t -77.88 114.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.6 m -106.48 156.48 36.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 103.97 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 44' ' ' VAL . 19.3 t -151.63 69.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p 44.83 46.9 9.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 46' ' ' ARG . 14.5 ttm105 -172.83 88.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.35 -72.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.8 m 57.35 70.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.14 152.21 43.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -60.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.3 -62.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.25 87.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m 44.68 66.94 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 56' ' ' ARG . 0.1 OUTLIER 55.68 68.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.65 -94.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 54' ' ' LEU . 4.5 mtm105 -57.42 156.4 16.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 163.16 35.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.5 p -158.64 -174.64 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -46.78 150.38 1.29 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.02 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 p -80.75 79.9 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -54.76 99.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mm -99.38 128.88 50.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.0 137.53 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.478 ' CG ' HD13 ' A' ' 76' ' ' LEU . 59.4 mt-10 -87.88 140.33 29.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.8 m -136.91 148.28 46.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.271 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' C ' HG23 ' A' ' 68' ' ' ILE . 14.6 tp -93.99 116.07 28.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.465 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -129.49 154.18 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 167.8 -170.14 41.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -126.63 -179.29 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -25.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.429 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.7 p -70.68 -79.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.16 -172.26 17.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.431 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 24.0 p -142.38 169.7 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.485 ' CG2' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.0 163.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.478 HD13 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -84.67 104.08 14.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.8 t80 -103.76 144.08 31.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.563 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 56.6 m -101.91 130.67 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.454 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -121.52 133.59 55.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -72.85 169.16 17.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -47.91 -23.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.4 OUTLIER -89.25 -59.35 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -54.7 -42.1 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.3 p -37.58 -45.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -58.71 -53.72 55.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 119' ' ' ALA . 12.3 mt -63.94 -31.53 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.454 ' HG3' ' CB ' ' A' ' 79' ' ' ALA . 57.8 mmm -91.11 37.36 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.453 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -71.23 157.06 90.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 131.64 14.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.62 19.85 59.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.62 151.37 41.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.454 HG23 ' CA ' ' A' ' 123' ' ' ALA . 48.2 m -111.83 127.73 55.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 35.3 m -138.51 155.79 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.516 ' HB ' ' CB ' ' A' ' 118' ' ' GLU . 34.3 mt -109.22 152.88 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 77' ' ' PHE . 1.7 mp -118.39 114.63 23.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -109.17 118.77 37.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.0 t30 80.79 21.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 p -67.02 127.91 34.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.41 146.24 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.5 mm -95.29 124.83 48.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.42 124.86 38.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.431 ' SD ' ' HB3' ' A' ' 24' ' ' PRO . 6.1 tpt -74.56 98.81 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 106' ' ' THR . 10.1 t80 -87.99 159.6 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.436 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 29.5 mtmt -40.16 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.537 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 53.46 37.16 55.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.537 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.2 p -163.15 174.29 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -143.27 163.67 32.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -153.26 166.73 31.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.478 ' CD2' HD23 ' A' ' 95' ' ' LEU . 13.8 tp -95.83 137.5 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -152.48 173.81 31.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 72.2 t -135.92 136.02 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.54 175.84 6.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -21.43 61.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -94.77 27.47 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -146.5 136.83 6.44 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.59 154.02 48.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.0 mt -78.14 156.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.6 tt0 -95.75 -60.11 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 88.84 36.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 119' ' ' ALA . 1.6 t -41.07 162.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.76 88.46 1.59 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 56.08 166.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.454 ' CA ' HG23 ' A' ' 92' ' ' THR . . . -105.69 148.57 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.5 t -101.99 19.52 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.946 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -136.98 165.72 25.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.7 m -106.61 109.97 22.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 34' ' ' LYS . 52.9 t -54.9 146.44 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 130' ' ' ASP . 3.5 ttpt -101.19 83.74 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.18 65.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -163.89 -42.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -85.19 50.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 135' ' ' LEU . 0.5 OUTLIER -76.16 143.1 41.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.05 21.04 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.418 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.9 OUTLIER -101.0 -1.19 34.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.651 ' N ' ' CD1' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -113.44 -32.74 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 137' ' ' GLU . 13.9 p -60.81 148.92 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 136' ' ' VAL . 40.1 mt-10 -120.35 128.11 52.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.592 ' CD2' ' HG3' ' A' ' 24' ' ' PRO . 21.4 m-85 -97.91 35.32 1.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -132.94 169.02 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.18 -46.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -165.2 -157.89 10.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 85.27 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.23 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.23 98.76 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -169.89 165.44 9.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -166.97 166.82 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.93 177.36 41.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.55 149.19 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.976 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 p -165.33 156.09 13.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.51 -179.6 42.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.93 -170.77 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -68.11 145.04 54.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 m -143.96 69.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 151.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.58 130.76 54.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.369 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -173.99 158.72 2.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.12 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.565 1.824 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -67.1 -32.21 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -109.99 169.0 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 14.6 p -95.49 173.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 4.1 mmtt -121.71 171.73 8.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.475 HG12 ' CG2' ' A' ' 75' ' ' ILE . 94.8 t -73.19 -42.98 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.93 -7.13 32.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -92.46 -15.31 27.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.7 154.04 37.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.22 158.4 29.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HB3' ' CE ' ' A' ' 102' ' ' MET . 18.2 Cg_endo -75.02 56.84 4.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.62 48.72 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.557 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 40.8 p -152.98 151.34 30.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -136.64 165.72 25.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.87 92.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.557 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.1 m-70 -115.2 158.87 21.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.592 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.423 HG21 ' CD ' ' A' ' 96' ' ' ARG . 32.5 m -138.91 105.7 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -154.17 163.48 40.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -97.35 108.3 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.5 m -101.74 137.19 30.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.9 tttt -108.15 120.54 42.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.5 t -67.88 145.14 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.48 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.2 mm -120.22 -48.74 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -139.01 165.24 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.82 106.3 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.17 142.04 50.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.409 HD12 ' CZ ' ' A' ' 62' ' ' ARG . 29.3 pt -51.21 156.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.2 t -79.17 100.7 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 m -112.96 158.15 38.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 105.23 2.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 45' ' ' THR . 3.6 p -177.39 111.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER 77.61 -55.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' N ' ' CG2' ' A' ' 45' ' ' THR . 5.4 ptp85 -137.33 148.99 46.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.4 -81.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.5 m 65.37 63.81 0.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 63.34 157.88 0.12 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -39.8 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 50.43 90.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.73 78.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.9 132.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.02 61.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m 61.43 141.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 60.84 149.73 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 96.18 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -84.14 -172.69 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -56.03 149.85 32.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 111.82 3.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.65 97.34 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -74.85 -14.03 60.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' A' ' 62' ' ' ARG . 2.2 mm 60.98 129.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.04 141.33 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.47 ' CG ' HD12 ' A' ' 76' ' ' LEU . 20.0 mt-10 -94.52 127.93 40.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.0 m -125.58 148.82 48.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.403 ' C ' HG21 ' A' ' 68' ' ' ILE . 15.8 tp -97.31 117.82 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.468 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -133.57 153.32 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.11 -170.64 43.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.592 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -124.86 -179.38 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -31.2 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.449 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.7 p -63.47 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.83 -172.84 18.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.117 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.434 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 25.8 p -137.02 168.89 18.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.475 ' CG2' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.98 163.22 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.47 HD12 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -89.51 101.61 14.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.547 ' CE2' HD22 ' A' ' 95' ' ' LEU . 10.4 t80 -107.28 133.36 51.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 31.2 m -86.71 135.94 33.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.341 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -122.65 129.48 51.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.44 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.15 165.76 23.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -46.94 -23.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.44 ' N ' ' C ' ' A' ' 80' ' ' ARG . 1.7 m-20 -87.65 -61.53 1.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 84' ' ' VAL . 31.4 mt-30 -54.39 -39.21 67.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.9 p -38.05 -42.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.1 -56.17 25.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 119' ' ' ALA . 13.5 mt -64.07 -26.07 68.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.443 ' CE ' HG23 ' A' ' 68' ' ' ILE . 51.5 mmm -97.46 44.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.89 153.74 80.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.443 ' O ' ' HD2' ' A' ' 88' ' ' LYS . 18.1 Cg_endo -75.04 125.66 9.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.5 28.37 22.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.087 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.15 161.19 35.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.469 HG22 ' CA ' ' A' ' 123' ' ' ALA . 82.0 m -116.01 137.86 51.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.1 m -153.43 156.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.408 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 12.9 mt -106.2 156.77 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 1.5 mp -117.67 114.08 22.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' CD ' HG21 ' A' ' 30' ' ' THR . 0.4 OUTLIER -106.14 130.99 53.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.0 t30 65.9 33.03 8.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.0 p -80.64 130.49 35.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -106.44 165.03 11.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.6 mm -117.19 120.73 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.37 125.59 40.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.51 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -72.38 101.71 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 111.044 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.1 t80 -89.08 158.88 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.32 97.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.527 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 56.99 32.33 62.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.1 p -163.07 -173.95 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.393 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -153.44 163.48 39.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -147.01 156.73 43.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.248 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 35.4 tp -97.48 134.61 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -148.9 164.78 29.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.8 131.33 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.42 176.25 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -40.94 89.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -68.37 -15.92 63.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.32 145.42 16.53 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.6 ptt85 -142.75 158.78 43.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.7 mt -77.09 156.34 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -99.79 -57.51 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 83.87 55.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -59.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.62 -78.61 0.22 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.0 156.12 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.469 ' CA ' HG22 ' A' ' 92' ' ' THR . . . -97.24 140.66 31.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.25 6.21 32.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.158 . . . . 0.0 109.97 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 4.7 p90 -121.53 167.0 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.2 m -109.28 109.33 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 34' ' ' LYS . 61.9 t -54.85 147.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 131' ' ' ASN . 4.0 ttmm -104.5 96.09 6.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.72 57.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -147.31 -46.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.413 ' CB ' ' HD2' ' A' ' 128' ' ' LYS . 57.6 t30 -83.54 54.22 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.475 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 4.3 t-20 -70.23 134.51 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.462 ' CD1' HG11 ' A' ' 19' ' ' VAL . 5.9 mt -95.84 -18.75 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -80.91 1.15 32.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 132' ' ' ASN . 12.4 mt -113.75 -56.45 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 137' ' ' GLU . 13.3 p -51.39 147.45 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 136' ' ' VAL . 34.6 mt-10 -117.88 133.17 56.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -93.54 165.06 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.75 -55.08 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.1 p 40.46 86.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -122.19 -160.26 10.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 128.2 11.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 12.6 t 67.2 147.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.48 121.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.45 1.093 . . . . 0.0 110.963 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.39 110.65 3.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 p -174.47 137.46 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.35 166.83 36.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.67 97.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -173.54 147.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.4 -149.79 3.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.79 110.02 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -153.1 146.97 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -164.12 -45.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 160.63 39.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.78 150.94 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.77 157.42 71.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -166.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.547 HG13 ' CE1' ' A' ' 16' ' ' PHE . 63.2 t -75.47 -30.96 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CE1' HG13 ' A' ' 15' ' ' VAL . 9.8 m-85 -115.63 150.39 36.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.48 HG13 ' CD1' ' A' ' 31' ' ' LEU . 8.3 p -91.08 177.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' H ' ' CG2' ' A' ' 17' ' ' VAL . 8.1 mmtp -123.97 163.14 21.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG13 ' CD1' ' A' ' 133' ' ' LEU . 57.7 t -64.13 -49.05 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -64.77 -10.03 24.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.75 2.31 53.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 90.4 mt -79.66 150.34 30.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 5.2 mttt -158.74 157.47 28.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 141.62 26.64 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.89 10.57 56.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.2 p -118.18 158.33 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p -146.58 179.32 7.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.438 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 39.39 92.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -122.58 161.22 24.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.588 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -141.27 109.73 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -155.47 171.09 20.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.0 m -106.02 106.98 17.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.7 m -101.75 134.43 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.3 tttt -108.4 120.51 42.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.5 t -64.42 144.95 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -120.57 -50.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -135.33 159.76 40.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.32 104.78 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -138.95 146.27 40.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.2 pt -55.56 158.05 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.6 m -78.53 113.74 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -97.31 155.48 37.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.59 7.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.81 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.1 p -170.78 -49.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 46' ' ' ARG . 12.4 t -172.49 -41.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' N ' HG23 ' A' ' 45' ' ' THR . 1.5 mtm105 -87.67 104.18 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.13 170.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 48' ' ' THR . 5.4 m 50.48 42.98 27.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.371 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.496 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -65.24 -51.74 51.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.99 -170.97 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.96 147.11 24.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m 59.63 114.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -67.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 96.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.66 32.66 4.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.68 149.02 11.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 74.19 4.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 76.5 p -141.29 148.8 40.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -48.05 151.12 1.81 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 127.71 10.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.43 89.75 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 107.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm -111.04 131.03 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 65' ' ' GLU . 72.8 t -136.29 139.0 46.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' CG ' HD13 ' A' ' 76' ' ' LEU . 11.0 mt-10 -87.78 126.94 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -125.69 150.95 47.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.251 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.48 119.91 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.461 HD13 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -133.64 152.8 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.96 -164.28 37.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.571 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 3.9 t70 -135.07 -179.51 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 72' ' ' THR . 14.8 pt-20 -44.7 -33.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 11.5 p -62.15 -78.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.6 -173.09 19.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.8 p -140.07 164.09 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.503 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -143.99 163.61 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -89.76 102.02 14.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.9 t80 -104.4 144.85 31.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.594 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 40.9 m -100.0 132.4 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.466 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -118.76 132.89 56.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.439 ' C ' ' N ' ' A' ' 82' ' ' ASP . 6.2 mtt180 -72.5 164.94 25.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -46.49 -23.67 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.439 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -87.89 -63.38 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' LEU . 15.0 mt-30 -52.22 -36.61 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.6 p -39.54 -42.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.01 -50.95 71.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 119' ' ' ALA . 4.9 mt -63.07 -42.16 99.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.466 ' HG3' ' CB ' ' A' ' 79' ' ' ALA . 54.4 mmm -80.95 50.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.47 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -82.02 151.46 66.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.93 15.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.54 23.66 53.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.37 161.5 29.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 63.3 m -116.66 129.47 56.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 31.1 m -141.0 155.38 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 31.5 mt -110.9 151.84 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' CD2' ' HG ' ' A' ' 109' ' ' LEU . 1.8 mp -116.1 118.26 32.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 128.79 56.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 t30 69.2 22.47 6.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.9 p -70.44 133.14 46.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.74 157.74 18.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.2 mm -107.59 125.54 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.64 126.08 40.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.52 96.76 4.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 106' ' ' THR . 6.0 t80 -85.15 156.84 20.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.81 97.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.523 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 56.83 42.57 92.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -175.18 -179.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.44 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -150.46 166.19 30.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -150.67 163.72 37.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.46 ' HG ' ' CD2' ' A' ' 95' ' ' LEU . 29.2 tp -97.02 135.82 38.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.41 170.27 30.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 2.1 t -130.67 112.47 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -68.85 176.15 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -20.14 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -94.34 22.2 6.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 108.004 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.447 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -143.05 143.43 12.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -136.3 154.7 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 110.262 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.7 mt -77.36 155.52 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -97.54 -59.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 85.05 44.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 121' ' ' GLY . 1.8 t -47.83 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.441 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -63.04 -98.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.65 168.46 15.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.42 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -94.52 125.47 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.1 p -92.7 8.67 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.571 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.9 p90 -126.2 160.18 30.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 97.3 m -104.17 112.2 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.28 141.68 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 8.9 tttp -98.49 96.48 8.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.33 56.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -146.32 -46.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.404 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 51.6 t30 -85.61 64.6 8.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.476 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 1.1 m120 -82.09 138.28 34.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -107.31 10.06 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -107.2 1.47 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.613 ' N ' ' CD1' ' A' ' 135' ' ' LEU . 0.6 OUTLIER -107.25 -68.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 p -44.88 166.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -132.19 137.4 47.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -95.83 163.89 12.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -81.34 118.68 22.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.0 167.45 22.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 96.23 150.04 26.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.63 5.88 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.1 p -53.36 108.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.8 t -156.74 107.21 2.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.12 170.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -137.95 172.56 12.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.98 143.07 7.9 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.73 136.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.803 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -176.94 169.0 2.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.26 -165.45 10.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.9 p -161.34 131.15 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -175.15 141.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p 179.37 128.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.67 170.33 8.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -140.81 76.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -120.47 154.88 56.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.9 41.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 16' ' ' PHE . 78.2 t -124.71 -83.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.449 ' O ' ' O ' ' A' ' 15' ' ' VAL . 51.4 m-85 56.92 152.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 31' ' ' LEU . 9.2 p -94.83 -178.25 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 4.6 mmtm -126.13 170.66 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.487 HG11 ' CG2' ' A' ' 75' ' ' ILE . 90.5 t -73.52 -39.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.32 -5.0 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -97.04 -8.17 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.2 mt -70.42 140.64 52.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -137.79 160.22 65.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.4 Cg_endo -74.97 55.51 3.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.67 62.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.551 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 71.3 p -153.03 147.55 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 28' ' ' GLY . 19.0 p -133.79 168.12 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 42.79 95.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.551 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.9 m-70 -122.77 159.26 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.569 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.5 m -140.54 104.75 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -152.09 167.08 29.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -102.49 107.84 18.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.9 m -103.59 134.24 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 10.0 tttt -107.1 120.01 40.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -65.09 146.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.481 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.8 mm -120.91 -47.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -138.22 163.52 31.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.38 107.48 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -138.98 145.47 39.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 pt -52.37 158.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.1 t -77.65 100.95 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -95.61 159.06 33.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.78 19.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.7 p 41.51 65.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 6.7 t -135.89 171.86 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 63.62 -76.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' THR . 0.0 OUTLIER -165.15 -49.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.1 p -55.6 156.6 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -88.64 169.34 13.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.07 6.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 59.14 172.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.26 121.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 t 62.54 81.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.27 75.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.2 m -150.21 177.75 9.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 54.68 86.78 0.16 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 58' ' ' SER . 18.1 Cg_endo -75.0 -47.27 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 57' ' ' PRO . 1.4 t 83.58 -58.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.7 153.09 22.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 66.82 6.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -89.96 86.86 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.68 98.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' SER . 1.4 mm -100.19 126.93 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.5 t -127.58 140.19 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -90.63 124.61 35.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.1 m -123.58 152.12 42.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' HG21 ' A' ' 68' ' ' ILE . 31.6 tp -100.88 120.68 40.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.447 HG23 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.38 153.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.31 -175.67 44.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD1' ' CD1' ' A' ' 125' ' ' PHE . 11.1 t0 -129.14 -178.83 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.11 -27.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.456 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 9.3 p -69.97 -79.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.14 -172.5 18.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.424 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 27.7 p -140.44 168.27 20.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.487 ' CG2' HG11 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -149.38 163.55 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 134' ' ' SER . 0.0 OUTLIER -87.09 101.84 13.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 77' ' ' PHE . 1.7 t80 -101.42 143.28 31.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 30.1 m -102.12 126.51 49.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.443 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.63 133.27 56.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.2 mtt180 -72.6 169.69 16.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -48.67 -22.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -89.84 -59.51 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -53.56 -40.31 65.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.9 p -38.59 -46.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -54.95 -56.09 23.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.434 ' CD2' ' HB1' ' A' ' 119' ' ' ALA . 13.0 mt -63.84 -30.32 71.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.447 ' CE ' HG23 ' A' ' 68' ' ' ILE . 60.4 mmm -95.67 43.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.459 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -76.17 155.66 84.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.56 17.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.7 22.74 63.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.01 154.1 46.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.486 ' CG2' ' HA ' ' A' ' 123' ' ' ALA . 96.4 m -110.52 137.12 48.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.1 m -148.54 162.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 16.4 mt -113.0 155.15 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.502 HD22 ' CE2' ' A' ' 77' ' ' PHE . 1.5 mp -120.01 113.85 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -108.39 127.87 54.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.83 19.22 3.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.4 p -69.62 128.42 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 154.86 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.1 mm -99.78 124.28 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.9 125.35 39.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.478 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -77.87 109.33 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 104' ' ' LYS . 16.6 t80 -99.82 158.27 15.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.56 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 40.7 mtmt -40.61 97.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.535 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 55.2 42.41 82.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -172.64 179.48 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.385 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -153.16 167.86 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.078 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -153.84 166.47 32.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' A' ' 95' ' ' LEU . 15.2 tp -95.49 137.45 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.41 178.31 27.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.429 ' CG1' ' C ' ' A' ' 115' ' ' GLY . 59.4 t -136.55 133.56 49.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.23 175.27 10.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.403 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -64.24 -26.7 68.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.403 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 25.1 m95 -89.67 9.83 25.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.429 ' C ' ' CG1' ' A' ' 111' ' ' VAL . . . -125.43 142.63 13.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.55 163.09 33.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.0 mt -78.17 157.29 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.457 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 1.4 tt0 -102.91 -46.18 4.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.434 ' HB1' ' CD2' ' A' ' 86' ' ' LEU . . . 75.05 63.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.476 HG23 ' CG2' ' A' ' 92' ' ' THR . 0.1 OUTLIER -38.21 -88.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.455 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . 161.97 -34.84 0.36 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -159.72 149.86 18.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 124' ' ' SER . . . -74.8 -67.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 1.1 m 85.29 -8.82 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.489 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 3.8 p90 -127.48 156.31 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.9 m -93.85 109.99 21.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.31 148.0 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 130' ' ' ASP . 1.4 ttpt -96.03 80.28 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.78 62.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -160.11 -43.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -83.52 50.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.532 ' HB3' ' CD2' ' A' ' 135' ' ' LEU . 54.4 t-20 -72.4 143.82 48.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.43 ' CD1' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.29 22.17 14.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -103.99 -1.93 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.607 ' N ' ' CD1' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -113.12 -41.27 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 137' ' ' GLU . 7.3 p -54.82 143.7 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.407 ' N ' HG21 ' A' ' 136' ' ' VAL . 36.3 mt-10 -116.81 132.99 56.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.574 ' CD2' ' HG3' ' A' ' 24' ' ' PRO . 19.0 m-85 -96.85 179.43 4.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 138' ' ' TYR . 0.6 OUTLIER 37.65 76.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.5 t -111.85 119.16 37.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -122.75 176.48 16.55 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.94 34.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.67 81.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 m -174.72 164.63 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 111.039 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 p -169.99 156.28 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 0.807 . . . . 0.0 109.948 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -167.59 171.23 10.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.64 -165.38 15.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.5 171.92 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.34 172.28 7.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.36 -157.77 7.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.1 108.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.045 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.2 t -168.41 127.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.5 m -135.81 34.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.36 157.24 36.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.98 79.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -159.44 157.3 26.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -173.52 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.32 -31.68 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' CE2' HG21 ' A' ' 30' ' ' THR . 4.6 m-85 -103.65 162.17 13.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 3.1 m -103.7 -169.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -130.05 -176.85 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.45 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 91.3 t -76.59 -44.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -69.48 -7.04 34.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -3.88 51.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.8 mt -81.53 150.81 28.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.46 164.3 15.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.94 10.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.52 26.95 5.43 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.5 p -132.71 162.37 31.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -153.05 168.23 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.78 93.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -122.62 160.42 25.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.435 HG21 ' CE2' ' A' ' 16' ' ' PHE . 2.9 m -136.6 112.15 9.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -160.06 164.98 32.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -98.27 115.14 27.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.82 136.84 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -110.16 120.86 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.5 t -66.94 143.95 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.467 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.1 mm -118.04 -48.98 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -137.51 159.04 43.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.24 107.97 3.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -139.27 152.59 47.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.0 pt -54.8 156.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.407 ' CG1' ' HG3' ' A' ' 65' ' ' GLU . 21.5 m -78.57 114.06 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -119.58 155.99 53.9 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.235 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 110.1 3.05 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.27 -66.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.96 55.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 76' ' ' LEU . 2.6 ttm105 177.61 112.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.56 133.91 53.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 49' ' ' ARG . 68.1 p -92.6 -133.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER 165.33 -53.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.2 Cg_endo -75.01 64.29 6.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.23 73.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.255 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 t -177.93 103.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.92 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.0 149.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 m -157.85 -55.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -162.15 158.92 21.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' GLN . 18.4 Cg_endo -75.04 -164.13 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.5 -85.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -114.87 151.63 45.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 64.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER 43.61 83.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -46.58 95.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' SER . 1.8 mm -92.72 126.57 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 65' ' ' GLU . 70.0 t -130.24 139.26 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 64' ' ' VAL . 10.2 mt-10 -91.97 116.05 28.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -113.53 151.45 31.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.346 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' C ' HG22 ' A' ' 68' ' ' ILE . 3.4 tt -101.12 118.41 36.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.511 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -130.75 154.99 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.81 -165.19 37.98 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.603 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -136.76 -179.24 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -46.91 -38.57 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 p -59.85 -82.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.21 -172.17 12.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.512 ' SG ' ' CG1' ' A' ' 127' ' ' VAL . 2.2 m -143.58 161.26 38.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.5 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -148.04 164.14 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 6.2 mt -88.09 122.46 31.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CE2' HD21 ' A' ' 95' ' ' LEU . 8.4 t80 -122.11 137.05 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.9 m -92.12 125.3 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.453 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -112.08 129.71 56.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.457 ' C ' ' N ' ' A' ' 82' ' ' ASP . 13.7 mtt-85 -72.88 164.48 26.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -44.32 -25.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.457 ' N ' ' C ' ' A' ' 80' ' ' ARG . 35.5 t0 -87.07 -63.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' LEU . 20.1 mt-30 -52.6 -41.62 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.9 p -36.84 -42.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -59.25 -56.42 22.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 119' ' ' ALA . 1.9 mt -64.08 -32.54 74.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.453 ' HG3' ' CB ' ' A' ' 79' ' ' ALA . 57.2 mmm -88.01 40.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.459 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -76.27 157.67 82.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.96 15.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.34 28.05 56.47 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.63 153.79 46.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 123' ' ' ALA . 15.8 m -107.75 130.36 54.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.421 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -145.83 156.49 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.5 mt -112.5 153.38 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 77' ' ' PHE . 3.1 mp -112.53 115.98 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 9.2 mtp180 -112.7 118.85 36.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 114' ' ' TRP . 1.0 OUTLIER 76.42 33.02 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -79.11 138.3 37.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 161.1 16.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 mm -112.23 121.3 64.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.72 124.63 38.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -78.39 94.84 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 106' ' ' THR . 9.7 t80 -81.56 157.49 24.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -40.92 97.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.512 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 58.05 44.34 94.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -175.65 -179.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.356 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 0.9 OUTLIER -154.65 153.51 31.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 25.0 mtm105 -138.98 166.94 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.544 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 22.2 tp -96.69 137.92 35.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.69 163.92 30.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 2.4 t -121.38 114.12 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.21 175.77 3.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -63.7 -20.58 65.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.425 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 10.6 m95 -95.33 20.98 8.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.017 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.447 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -141.83 148.37 20.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -144.99 173.75 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.326 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 51.1 mt -94.82 157.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 16.2 tp10 -100.99 -47.12 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' A' ' 86' ' ' LEU . . . 82.44 47.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.7 t -48.55 171.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.455 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -60.53 -106.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.08 155.01 39.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.404 ' N ' HG21 ' A' ' 92' ' ' THR . . . -79.9 142.23 35.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.12 8.91 21.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.603 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 5.3 p90 -124.54 158.78 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 87.1 m -99.67 108.65 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.512 ' CG1' ' SG ' ' A' ' 74' ' ' CYS . 49.8 t -56.25 128.48 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.442 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 7.1 tttp -90.67 95.62 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.65 53.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.82 -44.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.442 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 54.3 t30 -86.89 46.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.495 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 1.3 m120 -64.14 142.85 58.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 1.3 mt -108.74 4.42 23.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.421 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -100.85 2.46 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.608 ' N ' ' CD1' ' A' ' 135' ' ' LEU . 0.6 OUTLIER -108.72 -66.24 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 106' ' ' THR . 16.3 t -41.21 151.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -115.52 126.83 54.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 106' ' ' THR . 2.9 m-85 -105.17 125.83 51.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.92 141.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.07 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 85.48 167.99 44.11 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 158.82 41.73 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.471 1.774 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.02 167.9 9.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 36.2 p -160.18 124.65 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -177.08 139.86 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.51 149.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.56 156.34 8.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -170.41 167.43 8.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.06 161.57 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.92 144.77 17.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -176.2 166.41 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 4.9 t -165.18 166.91 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 9' ' ' THR . 64.4 t -156.96 71.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -73.87 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 65.02 82.1 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HZ3' ' NE2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -141.74 154.21 65.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -166.76 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.3 t -77.52 -29.11 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CE2' HG21 ' A' ' 30' ' ' THR . 4.5 m-85 -103.1 172.71 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.54 -170.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -133.72 176.36 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.526 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 98.2 t -71.76 -45.94 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -6.63 30.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' NE2' ' HZ3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -98.93 10.11 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.7 mt -86.95 148.15 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.07 168.05 7.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HD3' ' CE2' ' A' ' 138' ' ' TYR . 18.2 Cg_endo -75.06 155.38 42.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.18 16.51 78.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.566 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 43.9 p -117.56 159.46 22.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 26' ' ' THR . 5.9 p -156.5 174.16 15.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.11 78.34 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.566 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.3 m-70 -105.58 157.8 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.593 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.547 HG21 ' CE2' ' A' ' 16' ' ' PHE . 15.9 m -139.5 107.51 5.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -153.92 164.18 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.8 m -99.84 114.85 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.45 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.0 m -110.04 131.44 61.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 5.4 tttt -103.73 121.87 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -66.0 146.87 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.484 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -121.35 -51.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -139.65 158.7 43.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.61 109.82 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -138.92 147.2 42.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.0 pt -51.7 156.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.5 t -77.94 115.56 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.2 m -86.27 154.29 57.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' THR . 18.3 Cg_endo -75.03 -172.68 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.9 t 66.29 -74.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' PRO . 4.3 t -74.24 137.0 42.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.14 89.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.83 -173.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.7 m -104.02 -44.9 4.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CB ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER 166.07 -53.76 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -75.0 111.85 3.42 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.5 53.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.1 158.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 p 177.65 118.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 57.21 176.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -95.4 77.98 3.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 55' ' ' SER . 0.3 OUTLIER 162.71 106.24 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 58' ' ' SER . 18.5 Cg_endo -74.94 177.56 8.41 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.529 1.805 . . . . 0.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 57' ' ' PRO . 0.3 OUTLIER 81.58 -58.59 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.943 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -51.39 150.64 6.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.225 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.04 87.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.067 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 101.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm -98.45 131.93 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 65' ' ' GLU . 89.5 t -133.18 139.38 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' CG ' HD13 ' A' ' 76' ' ' LEU . 35.1 mt-10 -92.81 121.64 34.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.74 142.71 46.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.5 tp -88.12 121.88 31.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.455 HD13 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -135.87 153.51 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.32 -165.64 37.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.592 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 1.9 t70 -137.42 -179.72 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.12 -27.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.0 p -70.66 -75.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.44 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.66 -172.45 24.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.428 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 15.7 p -135.98 171.96 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.48 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.0 163.23 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.416 HD13 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -85.5 100.81 12.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 78' ' ' THR . 2.2 t80 -105.17 149.08 26.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.606 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 16.3 m -108.12 132.91 53.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.452 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -120.56 136.1 54.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.4 mpp_? -76.41 170.65 15.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -48.01 -23.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -87.32 -61.03 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.5 mt-30 -54.63 -44.79 73.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.4 p -37.8 -43.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.12 -54.09 50.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD22 ' CB ' ' A' ' 119' ' ' ALA . 1.6 mt -63.76 -43.64 95.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.454 ' CE ' HG22 ' A' ' 68' ' ' ILE . 55.0 mmm -76.5 54.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -84.0 151.0 59.75 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.421 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 18.4 Cg_endo -74.97 132.7 15.76 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.515 1.798 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.59 24.75 52.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.63 170.71 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.454 HG21 ' CA ' ' A' ' 123' ' ' ALA . 85.0 m -124.12 130.71 53.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.427 ' CA ' HG23 ' A' ' 120' ' ' THR . 17.5 m -141.29 159.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.439 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 3.7 mt -115.16 154.01 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 109' ' ' LEU . 2.3 mp -114.82 131.5 56.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -125.68 140.01 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m120 58.03 20.76 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 29' ' ' HIS . 85.9 p -68.26 141.85 55.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -118.91 153.88 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.1 mm -103.33 122.91 56.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.28 126.09 39.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -71.86 104.1 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.0 t80 -92.1 158.86 15.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.7 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.527 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 56.11 31.36 58.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.537 ' O ' ' N ' ' A' ' 103' ' ' PHE . 1.7 p -161.9 -174.82 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.497 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -149.08 173.22 13.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.0 mtm105 -155.39 163.68 39.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 95' ' ' LEU . 25.1 tp -97.33 135.75 38.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.36 -179.27 26.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 2.2 t -138.44 121.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.01 174.8 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.408 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -60.43 -23.32 64.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.408 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 40.9 m95 -95.27 22.04 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 108.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.432 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -136.57 144.01 15.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -143.31 156.22 44.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.6 mt -77.53 156.72 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -98.84 -50.64 4.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.472 ' CB ' HD22 ' A' ' 86' ' ' LEU . . . 80.48 45.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.45 ' CG2' HG22 ' A' ' 92' ' ' THR . 3.7 t -45.89 170.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -60.22 -100.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.48 163.61 22.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.454 ' CA ' HG21 ' A' ' 92' ' ' THR . . . -91.05 123.82 34.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.0 m -92.8 0.97 57.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.058 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.9 p90 -117.64 163.86 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.1 m -106.4 112.49 25.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 34' ' ' LYS . 54.7 t -58.32 143.88 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -90.82 85.58 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.22 61.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -167.35 -42.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -82.46 49.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.522 ' HB3' ' CD2' ' A' ' 135' ' ' LEU . 54.7 t-20 -73.27 145.53 46.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.526 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.62 14.06 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.402 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -94.1 -2.12 53.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 109.991 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -116.57 -38.36 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 106' ' ' THR . 9.8 p -53.44 140.77 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -105.06 131.06 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.434 ' CE2' ' HD3' ' A' ' 24' ' ' PRO . 10.6 m-30 -91.93 41.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -139.94 151.55 45.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 72.2 m -56.16 120.22 7.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.966 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 143.0 124.22 1.86 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 172.98 15.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.047 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.6 t -179.26 130.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 35.4 t 40.27 90.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -170.24 124.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.1 151.06 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.36 -108.27 0.36 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t 61.63 87.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 109.982 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.94 165.69 4.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.58 152.15 7.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.93 139.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.6 m -113.43 149.76 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.87 47.71 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -70.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 61.2 97.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp 64.34 153.41 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.76 41.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 16' ' ' PHE . 53.4 t -109.86 -83.87 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.438 ' O ' ' O ' ' A' ' 15' ' ' VAL . 9.5 m-85 56.46 156.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 31' ' ' LEU . 9.2 p -102.8 -179.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 5.7 mmtt -123.32 167.43 13.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.471 HG11 ' CG2' ' A' ' 75' ' ' ILE . 97.1 t -67.13 -55.11 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.46 -14.4 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -11.02 58.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.9 mt -70.91 150.04 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -159.94 170.17 9.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.428 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.5 Cg_endo -74.96 137.49 21.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.433 1.754 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.63 36.71 9.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.435 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 76.5 p -130.04 155.26 46.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -152.86 165.4 35.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.08 92.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.435 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 95.0 m-70 -122.35 161.03 24.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -141.29 110.35 6.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -156.57 170.39 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.8 m -105.72 109.37 21.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.26 137.73 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.36 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -111.06 118.01 34.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.7 t -65.84 145.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.499 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.2 mm -121.21 -49.44 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -134.39 166.45 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -156.8 105.92 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.33 141.66 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.5 pt -51.85 158.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.452 ' CG2' HG21 ' A' ' 63' ' ' ILE . 30.6 t -77.7 98.53 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.5 m -109.52 157.8 36.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' C ' ' CG1' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.04 175.59 11.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.809 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' ' C ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER 40.58 84.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.8 p -141.88 -87.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' CZ ' ' HG ' ' A' ' 76' ' ' LEU . 1.2 mtm180 -84.33 75.89 10.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.23 92.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 t -175.89 64.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.423 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' CB ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -52.86 -53.51 53.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -75.01 -66.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 76.87 89.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -44.21 99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.71 131.89 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.84 154.14 33.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 m 61.86 171.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -48.23 149.67 2.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.37 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 m -105.73 97.53 7.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -87.7 150.52 48.5 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 61' ' ' SER . 18.4 Cg_endo -74.99 84.06 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 60' ' ' PRO . 1.5 m 162.19 86.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.53 111.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.452 HG21 ' CG2' ' A' ' 41' ' ' VAL . 2.5 mm -112.25 127.48 69.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.427 ' HB ' ' CG2' ' A' ' 84' ' ' VAL . 81.2 t -134.54 138.0 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -87.64 133.8 33.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -131.19 147.83 52.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 108.337 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' CD2' ' HB2' ' A' ' 74' ' ' CYS . 5.4 tt -94.82 114.08 25.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.471 HD12 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -131.79 152.56 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.447 ' CA ' HG23 ' A' ' 19' ' ' VAL . . . 170.19 -156.39 26.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.532 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 3.5 t70 -136.48 -179.25 5.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 72' ' ' THR . 5.9 pt-20 -48.53 -30.76 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.432 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 17.5 p -62.33 -72.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.19 -172.63 22.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.424 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 1.1 p -137.56 155.7 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -134.11 163.37 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.58 ' C ' ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -93.67 99.85 12.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 78' ' ' THR . 16.1 t80 -103.13 150.38 23.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.599 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 24.9 m -106.2 131.84 52.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -120.9 133.96 55.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -73.17 170.86 14.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -48.51 -23.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 8.6 m-20 -89.93 -58.98 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -54.23 -41.95 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.7 p -38.36 -47.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.462 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.9 OUTLIER -53.92 -53.96 45.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.498 ' CD2' ' CB ' ' A' ' 119' ' ' ALA . 2.8 mt -63.7 -38.21 90.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.466 ' CE ' ' CG2' ' A' ' 68' ' ' ILE . 65.1 mmm -86.03 42.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.453 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -77.38 157.47 80.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.56 15.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.43 24.53 53.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.94 148.82 51.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.494 ' HB ' ' CA ' ' A' ' 122' ' ' ALA . 36.8 m -109.82 129.82 55.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 34.4 m -140.4 153.23 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.447 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 57.6 mt -105.49 153.76 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.417 HD22 ' CD2' ' A' ' 109' ' ' LEU . 1.9 mp -118.82 116.0 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.44 133.24 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 t30 63.32 27.38 15.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.9 p -73.92 127.45 32.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.52 160.28 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.67 124.79 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.13 125.97 40.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' A' ' 24' ' ' PRO . 7.6 tpt -73.16 105.14 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 105' ' ' GLY . 4.8 t80 -93.5 159.42 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.24 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.506 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 54.22 36.03 56.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 1.1 p -162.26 179.91 7.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.575 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.3 ptt? -151.22 154.23 36.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 107' ' ' MET . 37.0 mtt85 -142.18 166.33 25.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.417 ' CD2' HD22 ' A' ' 95' ' ' LEU . 66.6 tp -95.65 136.87 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.47 173.37 30.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.513 ' CG1' ' C ' ' A' ' 115' ' ' GLY . 62.8 t -133.92 129.22 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -81.45 176.22 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -23.78 66.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -90.69 13.21 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 108.027 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.513 ' C ' ' CG1' ' A' ' 111' ' ' VAL . . . -132.04 144.66 16.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -142.14 158.22 43.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 118' ' ' GLU . 20.8 mt -77.18 156.66 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 17.6 tt0 -96.81 -61.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 85.07 42.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -35.62 -59.46 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 147.48 -76.09 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.494 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.49 164.9 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' ' 92' ' ' THR . . . -111.82 162.61 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -117.53 7.28 12.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.532 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.2 p90 -122.92 159.21 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 64.6 m -102.13 113.53 26.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 36' ' ' ILE . 55.2 t -54.14 142.17 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.421 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 8.7 ttpt -104.25 97.76 7.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -74.55 -1.83 23.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.74 -23.52 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.421 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 55.9 t30 -121.17 82.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.41 ' OD1' ' OG ' ' A' ' 134' ' ' SER . 5.7 t-20 -96.6 133.08 41.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.81 -3.7 51.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 76' ' ' LEU . 13.1 p -81.48 -9.83 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.056 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.69 -31.15 6.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 137' ' ' GLU . 3.6 t -46.36 164.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.507 ' N ' ' CG1' ' A' ' 136' ' ' VAL . 54.9 mt-10 -145.81 127.92 15.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.575 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 23.0 m-30 -107.15 43.31 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.01 97.8 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.65 104.09 15.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -106.68 124.17 7.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 59.67 5.24 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t 41.06 87.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 7.8 p -129.69 140.08 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.3 130.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -169.41 126.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.64 131.89 2.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.89 132.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.32 125.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.37 132.83 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 t -168.96 162.68 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m 60.83 113.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -163.31 58.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -103.32 162.88 12.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -155.18 100.24 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -171.59 159.41 4.85 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -165.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -95.67 -148.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 15' ' ' VAL . 28.6 m-85 53.53 168.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -112.58 -171.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 5.6 mttm -134.24 170.31 15.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG12 ' CG2' ' A' ' 75' ' ' ILE . 82.3 t -66.45 -44.1 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.21 -8.26 37.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 1.03 54.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -82.86 153.55 25.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -166.47 170.63 5.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.58 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.2 Cg_endo -75.02 133.06 16.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.78 41.87 5.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.532 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 70.8 p -136.71 151.24 49.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -146.92 171.38 15.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.09 93.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.532 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 92.6 m-70 -122.14 155.22 36.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 0.737 . . . . 0.0 109.583 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 3.2 m -134.52 112.13 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -160.68 161.52 32.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.422 ' CG2' HG22 ' A' ' 120' ' ' THR . 31.9 m -98.48 108.78 21.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -101.68 137.85 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -109.79 122.42 47.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.4 t -68.58 146.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.0 mm -121.42 -50.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -133.77 160.48 37.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.71 106.24 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -138.98 151.08 46.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 pt -51.97 156.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 41' ' ' VAL . 15.0 m -77.97 86.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -47.83 157.83 0.58 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.04 152.29 40.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 45' ' ' THR . 16.0 m 37.99 73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -163.65 87.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttm105 57.5 69.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.41 153.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.8 t -157.5 64.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.54 140.61 0.27 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -172.46 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.36 -173.36 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.73 170.27 12.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.03 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -164.89 136.2 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.88 158.24 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m 73.35 126.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.18 95.05 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 61.32 5.66 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 p -124.02 90.8 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 64.43 153.62 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 62' ' ' ARG . 18.2 Cg_endo -75.0 162.76 36.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.21 77.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -47.37 103.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mm -104.82 130.71 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 65' ' ' GLU . 74.1 t -138.65 138.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' N ' HG11 ' A' ' 64' ' ' VAL . 81.9 mt-10 -89.11 134.94 33.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 m -133.52 144.58 49.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.315 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.29 118.58 31.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.476 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -133.73 153.53 36.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 165.47 -166.11 38.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.466 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 17.0 t0 -125.81 -179.61 4.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -46.07 -35.39 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.8 p -56.86 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.17 -173.15 18.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.093 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.475 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 1.6 p -138.13 171.86 13.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.475 ' CG2' ' C ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -152.38 162.82 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 134' ' ' SER . 0.0 OUTLIER -89.9 101.64 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.7 t80 -104.86 139.1 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 36.7 m -94.75 130.73 41.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -118.42 134.86 54.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -73.66 172.37 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -52.66 -20.2 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -93.0 -55.02 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.96 -43.13 91.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLN . 4.1 p -38.24 -38.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.08 -56.43 16.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 119' ' ' ALA . 1.8 mt -63.78 -24.8 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.454 ' CE ' HG22 ' A' ' 68' ' ' ILE . 55.9 mmm -96.01 38.3 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.45 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.69 155.72 88.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 132.28 15.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.09 21.43 59.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.87 152.37 42.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.417 HG23 ' CA ' ' A' ' 123' ' ' ALA . 62.1 m -110.56 127.79 55.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 119' ' ' ALA . 29.1 m -140.98 156.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 8.6 mt -111.3 157.34 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 109' ' ' LEU . 1.8 mp -118.63 120.14 36.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 9.0 mtp180 -112.43 120.81 42.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.8 t30 74.94 20.21 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.8 p -66.1 122.12 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -102.88 143.02 33.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.6 mm -87.11 130.12 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.14 125.71 39.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.5 tpt -78.07 98.86 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 106' ' ' THR . 3.7 t80 -88.88 160.21 17.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.85 96.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' PHE . . . 54.77 33.29 55.61 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 103' ' ' PHE . 0.6 OUTLIER -158.4 179.96 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.395 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.0 165.37 31.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -154.53 166.06 34.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.475 ' CD2' HD22 ' A' ' 95' ' ' LEU . 38.1 tp -96.69 137.28 36.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -155.94 -179.2 30.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 32.9 t -136.44 133.18 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.06 175.67 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -23.51 65.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -94.34 26.65 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.024 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.424 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -148.82 141.6 9.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.52 158.2 44.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.1 mt -77.79 156.7 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.5 tp10 -97.61 -54.21 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.343 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 84.01 39.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.422 HG22 ' CG2' ' A' ' 32' ' ' THR . 9.5 t -43.47 166.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.429 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -54.46 -106.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.12 171.27 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.417 ' CA ' HG23 ' A' ' 92' ' ' THR . . . -98.04 127.37 43.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.38 8.61 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.466 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.2 p90 -129.4 167.0 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 94.3 m -113.81 114.99 27.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 36' ' ' ILE . 75.4 t -55.04 145.6 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.482 ' HD2' ' CB ' ' A' ' 131' ' ' ASN . 8.9 ttmm -101.3 92.14 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.96 57.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -150.89 -46.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.482 ' CB ' ' HD2' ' A' ' 128' ' ' LYS . 51.6 t30 -86.31 57.1 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.531 ' HB3' ' CD2' ' A' ' 135' ' ' LEU . 52.7 t-20 -79.52 145.04 33.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -115.66 13.6 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.43 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -93.26 -4.23 52.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.601 ' N ' ' CD1' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -113.36 -27.31 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.94 149.05 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -124.02 128.88 50.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.58 ' CD2' ' HG3' ' A' ' 24' ' ' PRO . 15.1 m-85 -94.96 155.81 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -111.39 157.08 20.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 m -172.1 93.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.97 144.75 7.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 68.49 5.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.0 t -154.58 -53.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.958 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 68.2 m 58.18 107.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -178.89 159.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.795 . . . . 0.0 109.956 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.41 154.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.55 140.88 5.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.123 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 p 178.24 121.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.03 159.88 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.68 154.73 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.148 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.69 92.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 t -171.2 158.61 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 2.7 p -157.2 49.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -99.27 150.28 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 88.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 pttt -174.29 153.19 1.89 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -167.73 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.41 -29.58 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -109.19 164.77 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 11.5 p -95.97 174.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -118.88 169.8 9.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 133' ' ' LEU . 98.5 t -70.58 -45.55 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.49 -10.31 33.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -88.09 -11.88 45.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.0 mt -66.66 154.11 41.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 26' ' ' THR . 0.7 OUTLIER -167.31 165.44 8.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 135.21 18.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.47 8.41 57.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.421 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 58.9 p -104.34 159.47 15.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.78 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 26' ' ' THR . 20.3 p -154.42 171.59 19.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.49 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.64 92.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.421 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 93.6 m-70 -120.39 158.35 27.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 109.615 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 50.9 m -137.88 105.47 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -152.08 169.09 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.5 m -105.79 109.04 20.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.0 m -101.99 135.8 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -108.1 119.72 40.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.6 t -64.24 143.5 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.477 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.2 mm -119.48 -50.23 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -137.03 155.64 49.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.244 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.84 107.07 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -137.91 148.76 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 pt -61.28 146.18 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -138.19 117.11 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.48 154.52 62.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 107.84 2.57 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 t -153.13 -80.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.5 t -157.54 99.35 1.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.434 ' HD2' ' CD1' ' A' ' 76' ' ' LEU . 17.3 ttp85 -40.97 -53.94 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 92.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.17 108.48 19.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 2.3 mtp180 -68.58 -52.95 17.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.0 Cg_endo -75.07 -168.31 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.44 178.17 8.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.48 167.38 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 p -117.6 -59.4 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mp 61.2 161.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.81 -69.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -170.57 144.26 1.94 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 125.64 9.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.36 -169.65 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 60.93 156.03 0.11 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 110.347 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ARG . 18.3 Cg_endo -75.03 -172.21 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 m 68.57 -62.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' PRO . 4.2 mmt85 61.58 105.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.2 mm -115.81 131.05 69.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.5 t -130.78 138.58 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -97.15 97.56 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.96 148.21 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.5 tp -95.37 120.41 35.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.466 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -135.57 153.0 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 167.95 -163.04 36.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.422 ' CG ' ' OG1' ' A' ' 72' ' ' THR . 3.7 p-10 -137.49 -178.65 5.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 70' ' ' ASP . 4.2 pt-20 -38.07 -57.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.422 ' OG1' ' CG ' ' A' ' 70' ' ' ASP . 34.9 p -40.28 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.64 -172.33 19.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.402 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 2.5 p -139.72 167.29 22.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.446 ' CG2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -148.57 163.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.434 ' CD1' ' HD2' ' A' ' 46' ' ' ARG . 11.7 mt -86.39 122.06 29.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CE2' HD21 ' A' ' 95' ' ' LEU . 2.0 t80 -125.23 132.99 52.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 70.8 m -86.74 129.62 34.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.446 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -116.31 132.14 56.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.6 mtm180 -72.88 166.12 23.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -47.63 -22.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 80' ' ' ARG . 8.3 m-20 -88.87 -61.92 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 84' ' ' VAL . 30.7 mt-30 -53.86 -39.71 65.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' GLN . 3.0 p -39.15 -43.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -54.99 38.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.474 HD23 ' CB ' ' A' ' 119' ' ' ALA . 1.9 mt -63.98 -39.1 93.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.446 ' HG3' ' CB ' ' A' ' 79' ' ' ALA . 52.7 mmm -82.5 50.09 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.459 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -85.04 154.07 60.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.457 ' O ' ' HD2' ' A' ' 88' ' ' LYS . 18.4 Cg_endo -74.99 125.09 9.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.01 32.04 11.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.04 155.85 49.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.414 HG21 ' CG2' ' A' ' 120' ' ' THR . 89.7 m -110.1 128.45 55.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.55 152.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.424 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 11.0 mt -108.39 155.34 9.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.8 mp -119.26 130.1 55.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.2 128.14 48.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.0 18.9 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 p -65.52 128.96 38.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 137.38 44.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.4 mm -85.89 126.36 40.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.99 124.65 39.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.14 101.05 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 106' ' ' THR . 7.9 t80 -88.75 157.46 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -41.4 97.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.511 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 58.3 42.88 95.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -174.84 -177.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.425 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.548 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.2 ptt? -151.38 167.52 27.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.95 165.1 37.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 21.1 tp -97.21 135.57 38.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.0 164.73 30.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 2.3 t -126.13 121.32 59.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.4 176.13 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -22.6 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -94.95 27.33 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.017 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.476 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -145.98 138.28 7.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.91 152.89 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.794 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 118' ' ' GLU . 10.0 mt -78.47 156.1 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.6 tt0 -98.45 -55.48 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 83.74 48.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.414 ' CG2' HG21 ' A' ' 92' ' ' THR . 1.9 t -50.62 173.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -62.31 -98.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.46 166.64 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.06 130.58 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.42 2.63 50.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 70' ' ' ASP . 5.4 p90 -120.64 161.11 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 73.2 m -103.2 108.51 19.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 48.3 t -55.54 147.98 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 131' ' ' ASN . 7.0 ttpp -108.43 97.1 6.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.04 54.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -145.81 -46.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 128' ' ' LYS . 49.4 t30 -84.31 49.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.485 ' HB2' ' CD1' ' A' ' 135' ' ' LEU . 6.8 m-20 -65.55 137.29 57.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.5 mt -97.22 -11.02 24.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -87.22 5.08 39.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 132' ' ' ASN . 18.5 mt -111.3 -65.88 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 137' ' ' GLU . 12.3 p -43.89 151.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 136' ' ' VAL . 34.1 mt-10 -117.2 134.56 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.548 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 17.9 m-30 -96.01 131.56 42.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.56 136.0 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.68 81.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.02 153.42 23.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 71.23 5.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.426 1.751 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.08 105.06 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 31.6 t 40.78 82.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -167.69 143.85 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.84 167.26 31.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.96 -170.06 36.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -167.42 163.63 14.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m 63.97 143.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.85 124.14 5.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -109.7 -92.27 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m 52.04 94.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.7 m -151.66 -47.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.52 -173.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -144.82 28.12 1.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -101.29 155.97 35.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -166.39 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.0 t -72.44 -31.55 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -110.75 157.41 19.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.507 HG12 ' CD1' ' A' ' 31' ' ' LEU . 12.8 p -88.72 173.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 7.5 mmtp -123.62 167.81 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 133' ' ' LEU . 96.2 t -67.59 -46.51 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -10.18 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -6.31 54.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.4 mt -73.14 151.54 41.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -166.18 170.56 5.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 138' ' ' TYR . 18.3 Cg_endo -74.94 135.93 19.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 31.75 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.424 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 80.9 p -126.18 155.45 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 110.433 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -152.26 171.97 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.31 92.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.424 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 93.0 m-70 -117.71 155.01 30.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.591 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 21.1 m -135.53 104.14 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -153.13 167.72 28.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.4 m -101.68 108.54 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.0 m -101.23 130.89 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -107.37 118.82 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.7 t -66.21 145.64 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.49 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 2.1 mm -120.5 -49.24 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -136.55 157.31 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.93 110.43 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -139.16 150.55 45.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.1 pt -52.66 155.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.43 ' CG1' ' HG3' ' A' ' 65' ' ' GLU . 34.6 m -78.24 95.07 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -57.7 157.51 14.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' C ' ' CG1' ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.96 158.48 42.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.434 ' CG1' ' C ' ' A' ' 43' ' ' PRO . 1.1 p 40.66 81.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 46' ' ' ARG . 7.7 t -160.13 -53.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' N ' ' CG2' ' A' ' 45' ' ' THR . 0.6 OUTLIER -141.65 -47.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.43 160.38 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 m -133.63 112.6 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -63.99 -51.81 60.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.2 Cg_endo -75.06 56.19 4.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.28 -68.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.4 m -39.55 123.09 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 t -157.95 169.44 24.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 mp 61.54 161.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.83 -57.63 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -62.92 150.85 86.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 65.94 6.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 m -94.8 168.52 10.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -39.16 155.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.606 1.191 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.14 33.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.43 87.62 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.972 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.32 111.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.34 131.77 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.8 t -137.43 137.49 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 76' ' ' LEU . 37.7 mt-10 -89.67 130.92 35.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m -127.73 146.02 50.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -90.69 116.5 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.476 HD13 ' CB ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -133.53 154.17 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.443 ' CA ' HG23 ' A' ' 19' ' ' VAL . . . 169.98 -157.13 28.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -134.43 -179.25 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.245 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 15.8 pt-20 -50.74 -21.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.455 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 5.6 p -72.44 -77.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 131' ' ' ASN . . . -146.21 -172.46 16.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.464 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 28.0 p -135.72 169.67 17.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -155.89 163.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -87.3 119.25 27.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.576 ' CE2' HD22 ' A' ' 95' ' ' LEU . 7.2 t80 -126.12 121.81 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 m -77.01 133.79 39.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' CB ' ' HG3' ' A' ' 87' ' ' MET . . . -119.7 131.07 55.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.452 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -71.97 163.65 27.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -44.87 -24.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -87.19 -62.6 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' MET . 26.9 mt-30 -53.45 -38.73 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.8 p -37.55 -42.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -55.22 29.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.523 ' CD2' ' CB ' ' A' ' 119' ' ' ALA . 6.5 mt -63.68 -22.27 66.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.449 ' CE ' HG22 ' A' ' 68' ' ' ILE . 53.7 mmm -100.04 33.57 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -71.15 158.03 88.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.68 15.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.549 1.815 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.52 21.56 61.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.99 143.29 50.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 0.72 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 36.0 m -104.33 129.58 52.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.2 m -143.91 149.22 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.483 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 40.2 mt -99.42 153.23 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.584 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 2.4 mp -116.24 117.32 29.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.448 ' NH1' ' OE2' ' A' ' 118' ' ' GLU . 16.3 mtp180 -108.54 139.48 43.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 55.97 23.91 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.0 p -68.42 122.22 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -103.54 142.36 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.8 mm -87.64 128.65 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.82 125.97 39.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.2 tpt -78.92 107.79 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 11.1 t80 -98.58 159.08 15.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.556 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -40.28 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.525 ' O ' ' CG2' ' A' ' 106' ' ' THR . . . 54.71 39.07 65.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 105' ' ' GLY . 0.7 OUTLIER -165.91 178.21 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.753 . . . . 0.0 110.432 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.43 158.09 43.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -146.38 162.83 37.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.584 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 31.4 tp -96.5 137.64 35.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -155.79 170.86 33.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 t -130.94 118.53 42.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.66 175.26 8.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.587 ' HE3' ' CZ2' ' A' ' 114' ' ' TRP . 4.9 pttt -62.51 -15.92 52.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.587 ' CZ2' ' HE3' ' A' ' 113' ' ' LYS . 1.5 m95 -93.34 17.76 10.76 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.3 153.49 25.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 156.5 44.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.4 mt -77.39 156.39 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 1.3 tp10 -96.21 -63.64 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 118' ' ' GLU . . . 88.27 42.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.423 ' CG2' HG22 ' A' ' 92' ' ' THR . 0.6 OUTLIER -37.59 -61.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 122' ' ' ALA . . . 111.71 108.21 2.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.448 ' N ' ' HB ' ' A' ' 92' ' ' THR . . . 61.52 143.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -109.42 156.66 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -106.79 18.87 21.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -142.12 166.46 24.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.5 m -109.86 115.33 29.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 36' ' ' ILE . 48.9 t -54.54 131.02 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 8.0 ttpt -79.94 86.12 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 63.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -160.15 -44.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.467 ' O ' ' CA ' ' A' ' 73' ' ' GLY . 42.3 t30 -91.21 70.21 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.519 ' HB3' ' CD2' ' A' ' 135' ' ' LEU . 40.5 t-20 -87.45 149.17 24.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -116.92 6.91 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.481 ' OG ' ' CD1' ' A' ' 135' ' ' LEU . 96.4 p -85.84 -1.72 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.579 ' N ' ' CD1' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -118.23 -37.36 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.7 p -47.14 148.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.439 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 43.4 mt-10 -127.33 126.28 42.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.537 ' CE2' ' HD3' ' A' ' 24' ' ' PRO . 11.7 m-85 -93.11 166.05 12.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -76.54 118.94 19.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.112 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 26.6 p -134.8 120.53 19.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 115.76 160.78 12.6 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -41.65 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.24 -57.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.952 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.56 165.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.973 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.512 0.196 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.83 HG13 HD13 ' A' ' 31' ' ' LEU . 11.5 p -93.98 173.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.622 ' H ' HG22 ' A' ' 17' ' ' VAL . 7.3 mmtm -120.23 167.06 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.722 HG12 HD11 ' A' ' 133' ' ' LEU . 96.2 t -67.09 -49.06 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -8.8 35.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.98 -2.33 55.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 71.8 mt -74.84 161.59 29.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 9.0 mtmt -166.59 159.16 11.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.79 25.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.37 66.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -101.36 158.71 15.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.377 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' GLY . 4.9 p -149.13 178.93 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.64 90.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -120.89 158.01 28.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.6 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.575 HG23 ' HD3' ' A' ' 96' ' ' ARG . 4.0 m -138.29 108.57 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.83 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -154.69 172.04 18.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.714 HG23 HG13 ' A' ' 94' ' ' ILE . 7.3 m -107.75 108.63 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.82 134.45 42.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -107.71 121.88 45.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.555 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -69.97 144.11 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -120.1 -51.73 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 5.6 mt-10 -136.17 155.98 49.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.92 106.38 4.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.679 ' C ' HG13 ' A' ' 64' ' ' VAL . 6.4 m-80 -136.98 150.33 48.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.455 HG22 HG22 ' A' ' 64' ' ' VAL . 50.2 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.577 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.9 mm . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.679 HG13 ' C ' ' A' ' 39' ' ' ASN . 72.7 t -142.28 137.33 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -85.16 129.57 34.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.243 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 4.5 m -125.56 143.6 50.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 20.2 tp -88.38 116.4 26.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.91 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -134.15 153.36 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 168.93 -162.63 36.41 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' OD1' ' CD1' ' A' ' 125' ' ' PHE . 11.5 t0 -133.85 -179.01 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 8.1 pt-20 -45.11 -40.71 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 13.7 p -54.25 -80.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.445 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -145.91 -173.44 17.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.9 p -135.14 165.06 26.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.906 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -150.62 164.12 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 134' ' ' SER . 3.6 mt -89.04 123.35 33.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.905 ' CE2' HD21 ' A' ' 95' ' ' LEU . 2.4 t80 -127.25 134.92 50.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.577 ' CG2' HD12 ' A' ' 63' ' ' ILE . 64.0 m -90.27 134.86 34.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.75 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -124.96 132.14 53.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.408 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.2 mmm180 -72.79 171.33 12.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -49.86 -22.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 80' ' ' ARG . 22.5 m-20 -90.9 -56.95 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -56.53 -42.37 78.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.5 p -38.7 -47.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.449 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -55.61 -51.7 66.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.94 HD22 ' HB2' ' A' ' 119' ' ' ALA . 18.4 mt -66.67 -31.4 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.91 ' CE ' HG21 ' A' ' 68' ' ' ILE . 55.1 mmm -92.48 38.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -74.06 156.41 87.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.63 13.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.15 24.67 51.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -125.85 149.53 48.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.737 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.75 HG21 ' CA ' ' A' ' 123' ' ' ALA . 96.4 m -107.74 125.3 51.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 119' ' ' ALA . 20.0 m -140.22 159.28 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.714 HG13 HG23 ' A' ' 32' ' ' THR . 21.2 mt -114.56 160.42 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.905 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.1 mp -121.91 115.46 22.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.575 ' HD3' HG23 ' A' ' 30' ' ' THR . 0.1 OUTLIER -106.05 128.14 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 65.63 26.68 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 p -69.36 141.4 54.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -114.12 156.66 23.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 mm -109.38 126.31 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 107' ' ' MET . 4.5 m-20 -95.01 125.77 39.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.72 95.99 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.504 ' HD2' ' HG1' ' A' ' 106' ' ' THR . 9.9 t80 -83.05 158.57 22.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.491 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -41.99 97.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.806 ' O ' HG23 ' A' ' 106' ' ' THR . . . 57.58 33.43 66.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.3 p -162.85 -174.75 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 1.3 ptt? -153.37 169.08 23.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.36 164.38 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.906 ' HB3' HD11 ' A' ' 75' ' ' ILE . 43.7 tp -96.41 135.98 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.14 171.61 32.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 18.6 t -126.22 129.9 72.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.96 176.09 10.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.444 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -65.22 -23.07 66.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.444 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 42.4 m95 -94.88 26.97 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.44 143.81 12.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.74 156.4 48.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.2 mt -77.63 156.69 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.241 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.724 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 4.6 tp10 -100.32 -57.81 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.94 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 87.2 44.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.623 ' CG2' HG22 ' A' ' 92' ' ' THR . 1.6 t -43.37 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.29 -84.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.473 ' C ' HG21 ' A' ' 92' ' ' THR . . . -131.07 155.26 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.797 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.75 ' CA ' HG21 ' A' ' 92' ' ' THR . . . -67.98 -65.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 2.9 t 87.11 3.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.509 ' CZ ' ' HB1' ' A' ' 123' ' ' ALA . 7.2 p90 -131.2 148.98 52.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 90.1 m -87.46 115.86 25.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.463 HG21 HD11 ' A' ' 36' ' ' ILE . 20.1 t -67.09 146.14 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.2 ttpt -97.01 79.43 2.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -69.34 59.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' LYS . 13.7 m-20 -153.95 -45.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -82.55 51.99 1.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.433 ' C ' HD23 ' A' ' 133' ' ' LEU . 5.0 t-20 -62.41 142.38 57.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.722 HD11 HG12 ' A' ' 19' ' ' VAL . 8.4 mt -103.27 -19.28 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.479 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.512 0.196 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.833 HG13 HD13 ' A' ' 31' ' ' LEU . 8.0 p -93.19 177.71 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.729 ' H ' HG22 ' A' ' 17' ' ' VAL . 7.4 mmtt -123.85 172.54 8.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 133' ' ' LEU . 86.2 t -73.49 -43.68 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -6.18 29.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -94.86 -9.26 34.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.7 mt -68.89 158.58 34.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -166.5 163.09 11.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.1 13.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.18 -1.61 47.25 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.566 1.166 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.9 p -94.79 158.26 15.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 28' ' ' GLY . 5.3 p -150.75 172.62 15.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 37.48 93.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -121.24 159.26 26.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.7 m -140.37 111.57 7.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.426 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.833 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -156.54 169.79 23.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.675 HG23 HG21 ' A' ' 120' ' ' THR . 27.1 m -101.87 106.86 17.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -101.54 134.09 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -107.48 122.52 46.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.519 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.3 t -70.15 146.26 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.894 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.92 -51.36 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.5 mt-10 -134.83 160.53 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.01 113.38 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.675 ' C ' HG13 ' A' ' 64' ' ' VAL . 7.6 m120 -138.06 145.8 42.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.0 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.531 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.8 mm . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.675 HG13 ' C ' ' A' ' 39' ' ' ASN . 92.1 t -131.61 140.47 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.649 ' HB3' HD11 ' A' ' 76' ' ' LEU . 37.2 mt-10 -92.26 123.6 35.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.2 m -122.31 149.85 43.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.262 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 tt -96.9 117.44 31.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.953 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.14 153.39 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.447 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 170.77 -160.92 33.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.543 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 2.2 t70 -135.87 -179.88 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 72' ' ' THR . 2.9 pt-20 -47.5 -27.11 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.51 ' O ' ' CE ' ' A' ' 128' ' ' LYS . 38.9 p -67.37 -75.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.04 -172.74 21.0 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.424 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 2.7 p -137.32 168.12 20.25 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.547 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.3 162.75 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.649 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -89.93 100.98 13.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CE2' HD21 ' A' ' 95' ' ' LEU . 14.2 t80 -106.12 139.22 40.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.531 ' CG2' HD12 ' A' ' 63' ' ' ILE . 21.1 m -95.73 131.25 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.678 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -117.84 135.03 54.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -72.75 170.56 14.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -51.33 -21.45 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.51 -55.41 3.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' VAL . 1.3 mt-30 -57.39 -41.75 80.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.3 p -38.44 -46.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.436 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 1.5 m-20 -55.74 -54.9 38.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.84 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.6 mt -63.84 -34.36 77.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.953 ' CE ' HG21 ' A' ' 68' ' ' ILE . 56.3 mmm -88.58 41.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.64 154.62 85.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.3 15.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.91 23.54 57.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.74 156.68 39.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.84 HG23 ' HB2' ' A' ' 123' ' ' ALA . 14.8 m -112.41 129.0 56.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 119' ' ' ALA . 26.8 m -144.88 159.81 14.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.553 HD12 ' HB ' ' A' ' 120' ' ' THR . 20.5 mt -111.9 157.6 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 109' ' ' LEU . 2.3 mp -118.15 114.84 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -105.65 135.12 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 t30 57.9 37.82 26.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.499 ' HB2' HD11 ' A' ' 109' ' ' LEU . 97.5 p -82.63 130.29 35.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -104.34 160.43 14.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.4 mm -111.92 125.68 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 107' ' ' MET . 1.6 p30 -95.58 130.15 42.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.49 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -80.23 100.96 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.522 ' HD2' ' HG1' ' A' ' 106' ' ' THR . 9.3 t80 -89.85 158.59 17.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -42.39 96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.803 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.19 33.2 69.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.803 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.3 p -162.88 -174.51 3.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 1.2 ptt? -155.76 164.2 38.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -146.87 161.59 40.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 95' ' ' LEU . 56.7 tp -97.39 142.84 28.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -157.94 177.78 34.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.87 134.44 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.09 176.49 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.6 ' HE3' ' CZ2' ' A' ' 114' ' ' TRP . 3.2 pttt -61.76 -24.46 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.6 ' CZ2' ' HE3' ' A' ' 113' ' ' LYS . 1.2 m95 -86.67 7.71 25.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.87 152.58 20.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -148.64 159.47 44.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.98 156.48 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.6 OUTLIER -101.69 -53.04 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.84 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 81.18 56.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.675 HG21 HG23 ' A' ' 32' ' ' THR . 1.7 t -61.06 171.23 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -57.3 -113.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.79 160.48 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.84 ' HB2' HG23 ' A' ' 92' ' ' THR . . . -90.78 138.94 31.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.85 16.45 25.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.543 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 6.4 p90 -132.26 161.31 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.5 m -106.56 117.9 35.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.894 HG21 HD11 ' A' ' 36' ' ' ILE . 54.4 t -55.04 141.5 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 72' ' ' THR . 2.5 tmmm? -109.85 94.04 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.6 -7.99 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -18.21 63.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.486 ' HB2' ' CD ' ' A' ' 128' ' ' LYS . 32.9 t30 -124.66 72.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.6 ' C ' HD23 ' A' ' 133' ' ' LEU . 4.7 t-20 -85.36 135.23 33.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.724 HD23 ' N ' ' A' ' 133' ' ' LEU . 1.7 mt -94.58 -21.68 18.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.504 0.192 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.869 HG13 HD13 ' A' ' 31' ' ' LEU . 10.8 p -91.12 175.16 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.653 ' H ' HG22 ' A' ' 17' ' ' VAL . 14.2 mmtt -121.4 169.57 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.652 HG12 ' CD1' ' A' ' 133' ' ' LEU . 95.0 t -71.54 -41.91 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.42 -4.76 28.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.78 3.27 47.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.548 HD13 HD11 ' A' ' 100' ' ' ILE . 83.5 mt -77.02 151.57 35.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 10.7 mttp -162.85 161.6 18.98 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.68 25.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.91 14.31 55.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -114.19 158.37 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' GLY . 3.0 p -151.08 175.97 11.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.09 91.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -117.96 158.54 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m -137.25 109.72 7.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.869 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -157.22 168.6 26.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.84 HG23 HG13 ' A' ' 94' ' ' ILE . 5.0 m -105.22 109.76 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.373 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -101.32 134.22 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -107.1 118.96 38.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.6 t -65.32 144.16 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 127' ' ' VAL . 2.1 mm -118.51 -49.93 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 4.5 mt-10 -140.95 156.32 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.26 112.65 6.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.664 ' C ' HG13 ' A' ' 64' ' ' VAL . 10.0 m-80 -138.08 147.97 44.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.7 pt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.664 HG13 ' C ' ' A' ' 39' ' ' ASN . 77.7 t -136.91 138.49 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -94.45 113.27 25.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 8.8 m -108.67 149.8 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 108.315 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 25.2 tp -94.72 119.41 33.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.903 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.72 153.53 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.566 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 175.09 -169.68 42.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 12.8 t0 -132.26 -179.27 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 0.718 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -44.8 -26.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.421 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 9.0 p -73.09 -78.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.413 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.55 -172.5 19.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.15 . . . . 0.0 111.047 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 4.7 p -136.06 168.12 19.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.574 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -148.6 163.67 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.31 110.7 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.756 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.3 t80 -114.12 142.58 46.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 82.8 m -99.32 124.61 44.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -111.68 131.8 55.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.9 mmm180 -72.11 165.55 24.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 84' ' ' VAL . 28.3 p-10 -47.17 -22.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -89.62 -61.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' LEU . 18.2 mt-30 -54.38 -37.81 65.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 81' ' ' ASN . 4.0 p -38.19 -45.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.21 -52.04 66.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.92 HD22 ' HB2' ' A' ' 119' ' ' ALA . 12.7 mt -63.72 -28.56 69.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.903 ' CE ' HG21 ' A' ' 68' ' ' ILE . 59.4 mmm -95.88 39.92 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.425 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -73.05 156.98 89.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.28 15.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.33 20.45 60.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -124.26 153.77 41.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.584 ' OG1' ' HB2' ' A' ' 123' ' ' ALA . 42.9 m -114.39 131.03 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.411 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 119' ' ' ALA . 17.9 m -141.87 161.85 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.84 HG13 HG23 ' A' ' 32' ' ' THR . 39.4 mt -111.65 160.05 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.756 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.3 mp -124.56 119.1 28.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.45 ' NH1' ' OE1' ' A' ' 118' ' ' GLU . 18.1 mtp180 -112.4 122.97 49.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.5 t30 76.31 19.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.429 ' CB ' HD23 ' A' ' 95' ' ' LEU . 24.8 p -67.13 130.74 44.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 110' ' ' GLY . 10.0 ptm180 -104.28 155.55 18.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.548 HD11 HD13 ' A' ' 22' ' ' LEU . 13.9 mm -105.21 126.38 60.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 107' ' ' MET . 0.9 OUTLIER -95.11 125.56 39.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.403 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.68 101.96 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' THR . 8.0 t80 -91.98 157.41 16.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -41.35 97.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.885 ' O ' HG23 ' A' ' 106' ' ' THR . . . 57.61 42.9 94.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -175.47 -177.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 110.387 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -146.92 174.61 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.489 ' O ' HD13 ' A' ' 100' ' ' ILE . 32.2 mtm180 -155.89 166.35 33.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.675 ' CD2' HD22 ' A' ' 95' ' ' LEU . 16.4 tp -96.1 136.62 36.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' ARG . . . -152.43 157.51 27.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.5 130.03 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.08 175.87 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -20.31 66.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -95.97 21.84 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -135.4 149.6 20.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -147.19 155.35 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.434 ' HB ' HD13 ' A' ' 86' ' ' LEU . 14.1 mt -77.21 156.02 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.687 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 6.5 tp10 -101.69 -53.55 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.92 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 83.45 51.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.506 ' CG2' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -37.63 -51.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 137.8 -74.01 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.421 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.94 163.73 29.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.584 ' HB2' ' OG1' ' A' ' 92' ' ' THR . . . -105.42 154.45 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.4 p -116.7 3.27 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.551 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 8.6 p90 -118.8 159.34 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.2 m -102.82 110.14 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 36' ' ' ILE . 53.5 t -55.07 143.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.477 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 1.2 ttmm -106.14 88.55 2.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -16.14 11.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -26.36 61.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.477 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 6.3 t-20 -105.24 60.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -85.77 124.83 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.652 ' CD1' HG12 ' A' ' 19' ' ' VAL . 1.9 mt -86.6 -12.65 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.99 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.54 0.209 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.813 HG13 HD13 ' A' ' 31' ' ' LEU . 12.0 p -94.93 173.97 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.619 ' H ' HG22 ' A' ' 17' ' ' VAL . 13.2 mmtt -120.23 171.25 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 133' ' ' LEU . 82.1 t -71.97 -45.04 65.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -8.08 29.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -93.66 -9.21 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 77.9 mt -68.16 153.42 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 4.7 mtpt -160.06 160.09 26.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.72 11.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.79 -2.86 38.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.8 p -95.72 152.17 18.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -143.98 174.75 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.3 91.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -119.48 162.2 19.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m -140.9 106.43 5.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.813 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -153.57 169.52 23.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.56 HG23 HG21 ' A' ' 120' ' ' THR . 90.3 m -105.32 109.16 21.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -101.76 136.81 32.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.1 tttm -109.58 122.49 47.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.52 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -69.94 144.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.895 HD11 HG21 ' A' ' 127' ' ' VAL . 2.4 mm -121.0 -50.12 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.3 mt-10 -134.29 158.49 43.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -152.7 107.94 3.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.721 ' C ' HG13 ' A' ' 64' ' ' VAL . 5.0 m-80 -138.53 152.66 48.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 pt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 mm . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.721 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.7 t -128.18 138.36 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HG2' ' CD1' ' A' ' 76' ' ' LEU . 28.7 mt-10 -89.67 128.09 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.3 m -126.19 152.15 46.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.3 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.423 HD22 HG13 ' A' ' 36' ' ' ILE . 6.7 tt -100.9 116.52 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.965 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.14 153.57 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.2 -163.42 36.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 15.3 t0 -132.5 -179.38 5.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -45.51 -35.36 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.423 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 16.0 p -60.2 -79.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.365 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 131' ' ' ASN . . . -147.53 -172.54 17.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.1 p -136.71 168.94 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.821 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -148.17 163.28 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.434 ' CD1' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -90.27 102.07 14.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.705 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.9 t80 -105.1 141.35 36.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 77.2 m -97.33 129.66 44.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.702 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -119.5 132.32 55.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -72.66 170.1 15.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.433 ' O ' HG12 ' A' ' 84' ' ' VAL . 19.6 t-20 -49.47 -22.75 1.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -89.59 -58.21 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -55.63 -43.05 75.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.6 p -37.91 -44.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.408 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 17.2 t0 -55.74 -55.67 29.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.827 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 1.8 mt -63.84 -32.54 74.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.965 ' CE ' HG21 ' A' ' 68' ' ' ILE . 60.0 mmm -89.42 41.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -77.09 156.13 82.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.78 15.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.7 24.45 55.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.12 153.84 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.666 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 38.0 m -111.31 127.74 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.831 HG12 ' HA ' ' A' ' 119' ' ' ALA . 34.3 m -139.94 152.54 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.508 HD12 ' HB ' ' A' ' 120' ' ' THR . 12.8 mt -110.34 151.38 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.853 HD22 HD21 ' A' ' 109' ' ' LEU . 2.0 mp -114.44 116.1 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 13.9 mtp180 -108.63 117.63 34.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.8 t30 78.31 25.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.591 ' CB ' HD23 ' A' ' 95' ' ' LEU . 7.8 p -71.73 131.89 43.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.88 165.04 11.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 109' ' ' LEU . 14.6 mm -118.44 124.87 73.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.32 126.63 40.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -75.87 98.74 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 106' ' ' THR . 7.7 t80 -85.98 158.26 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -42.28 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.766 ' O ' HG23 ' A' ' 106' ' ' THR . . . 57.98 31.9 65.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.4 p -161.87 -174.1 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.433 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -156.3 164.09 38.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -146.37 164.56 32.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.853 HD21 HD22 ' A' ' 95' ' ' LEU . 48.9 tp -97.14 135.27 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -147.93 174.24 27.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.3 t -131.13 132.51 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.57 174.47 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -25.5 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -91.44 15.65 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -132.41 139.57 11.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -134.46 156.71 48.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.72 156.05 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.666 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -97.41 -54.99 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.831 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 83.71 36.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.56 HG21 HG23 ' A' ' 32' ' ' THR . 6.1 t -40.18 160.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -50.66 -101.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.44 165.63 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.666 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -93.26 147.74 22.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.32 20.71 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.554 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.5 p90 -139.07 162.45 34.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.8 m -108.22 117.48 34.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.895 HG21 HD11 ' A' ' 36' ' ' ILE . 78.6 t -55.66 141.98 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 131' ' ' ASN . 10.1 ttpp -107.61 85.51 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.58 -17.9 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.01 -37.83 88.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.454 ' O ' ' CA ' ' A' ' 73' ' ' GLY . 49.5 t30 -102.74 83.37 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.603 ' C ' HD23 ' A' ' 133' ' ' LEU . 8.5 t-20 -101.33 132.93 46.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.756 HD11 HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -96.35 -6.29 38.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.4 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.523 0.202 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.835 HG13 HD13 ' A' ' 31' ' ' LEU . 7.8 p -96.6 176.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.71 ' H ' HG22 ' A' ' 17' ' ' VAL . 2.2 mmtp -123.41 166.31 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.636 HG12 ' CD1' ' A' ' 133' ' ' LEU . 88.0 t -67.88 -50.22 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.555 ' OE2' HG22 ' A' ' 72' ' ' THR . 11.7 pt-20 -64.94 -11.8 42.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.36 -1.87 57.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.7 mt -73.81 161.18 30.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -167.96 162.42 9.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 139.6 24.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.81 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.95 25.7 26.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.6 p -122.37 153.17 39.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.431 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -145.45 166.88 24.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 45.12 95.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -122.15 158.24 29.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.616 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 m -138.25 107.41 6.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.835 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -155.22 165.92 35.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.652 HG23 HG13 ' A' ' 94' ' ' ILE . 3.9 m -98.93 107.8 20.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.419 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 m -101.81 131.79 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.2 tttt -107.21 121.95 45.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.5 t -68.01 143.94 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.656 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -118.88 -50.03 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 5.7 mt-10 -139.67 158.95 43.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.09 113.72 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.684 ' C ' HG13 ' A' ' 64' ' ' VAL . 7.7 m120 -137.75 148.76 45.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.491 ' HA ' HG22 ' A' ' 64' ' ' VAL . 45.8 pt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.447 HD12 ' CG2' ' A' ' 78' ' ' THR . 3.2 mm . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.684 HG13 ' C ' ' A' ' 39' ' ' ASN . 88.6 t -139.63 138.74 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HB3' HD21 ' A' ' 76' ' ' LEU . 55.5 mt-10 -95.28 123.08 38.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.3 m -116.63 143.65 45.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 108.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.6 tp -88.05 117.88 27.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.894 HG21 ' HE1' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.38 153.25 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.471 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 172.28 -165.07 37.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -131.72 -179.53 5.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 0.794 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -49.53 -22.95 1.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.555 HG22 ' OE2' ' A' ' 20' ' ' GLU . 17.6 p -73.43 -78.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.45 -172.53 15.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.405 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 19.4 p -139.95 165.53 27.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.893 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -151.54 163.81 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -86.61 117.25 25.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CE2' HD21 ' A' ' 95' ' ' LEU . 4.4 t80 -122.95 127.73 49.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.571 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 98.3 m -79.17 143.33 35.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.591 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -131.28 130.23 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -72.55 165.79 23.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 84' ' ' VAL . 40.8 p-10 -46.75 -23.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -88.31 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 24.2 mt-30 -54.03 -39.53 66.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 81' ' ' ASN . 3.3 p -38.54 -42.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.46 -53.41 56.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.033 HD22 ' HB2' ' A' ' 119' ' ' ALA . 15.8 mt -64.14 -24.36 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.894 ' HE1' HG21 ' A' ' 68' ' ' ILE . 53.8 mmm -98.48 40.45 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.438 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -75.23 154.98 86.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.07 12.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.23 23.9 46.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -126.75 156.36 41.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.724 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 88.4 m -113.52 131.71 55.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 86' ' ' LEU . 32.7 m -146.15 152.38 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.652 HG13 HG23 ' A' ' 32' ' ' THR . 34.1 mt -104.52 155.24 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.59 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 1.7 mp -115.63 118.88 34.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -109.19 129.6 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 t30 63.72 29.08 14.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.8 p -74.86 127.47 33.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -102.4 157.87 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.7 mm -107.3 125.69 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 107' ' ' MET . 2.0 m-20 -95.14 124.76 39.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.447 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.16 106.07 10.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 9.5 t80 -95.44 157.53 15.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.487 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -41.34 97.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.886 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.23 42.66 95.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -175.02 -176.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 110.413 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.428 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 1.1 ptt? -154.74 163.97 39.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -146.06 163.35 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.893 ' HB3' HD11 ' A' ' 75' ' ' ILE . 28.0 tp -97.56 136.1 38.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -154.35 155.89 26.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.46 127.6 70.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.85 176.26 9.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -20.26 66.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -94.77 24.85 4.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 107.976 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.66 146.2 16.38 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.07 158.84 43.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 0.788 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.468 ' HB ' HD13 ' A' ' 86' ' ' LEU . 4.9 mt -77.49 156.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.716 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 3.8 tp10 -97.53 -60.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.033 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 86.73 45.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.2 OUTLIER -35.83 -56.48 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.509 ' H ' HG23 ' A' ' 120' ' ' THR . . . 144.42 -80.53 0.23 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.411 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -133.16 155.31 49.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.724 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -100.17 149.41 23.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 10.11 23.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -123.59 155.65 37.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.4 m -98.47 110.77 23.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.656 HG21 HD11 ' A' ' 36' ' ' ILE . 48.0 t -54.7 140.16 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -90.44 88.13 7.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.33 63.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.12 -44.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -83.81 52.98 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -69.68 134.94 49.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.636 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.9 mt -96.4 -17.14 20.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.457 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.521 0.2 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.809 HG13 HD13 ' A' ' 31' ' ' LEU . 7.4 p -97.75 178.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.743 ' H ' HG22 ' A' ' 17' ' ' VAL . 14.3 mmtt -128.39 164.9 21.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.771 ' O ' HD11 ' A' ' 133' ' ' LEU . 94.0 t -64.84 -41.5 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 9.8 pt-20 -69.38 -4.3 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.472 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.67 -2.48 35.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.67 146.09 40.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -158.43 168.54 12.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.78 14.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.67 51.72 2.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.1 p -149.72 153.3 36.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' GLY . 12.5 p -146.38 174.33 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 38.84 94.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -121.39 159.42 26.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -138.36 109.28 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.809 HD13 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -155.99 169.64 23.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.707 HG23 ' CG1' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -104.31 111.17 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.416 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.1 m -104.16 134.25 45.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -110.99 121.43 45.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.522 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.3 t -70.58 147.41 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.827 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.12 -50.21 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -137.63 168.36 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -148.0 109.37 4.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.616 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -121.61 137.31 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 64' ' ' VAL . 51.2 pt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 80' ' ' ARG . 2.4 mm . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.616 HG13 ' C ' ' A' ' 39' ' ' ASN . 81.0 t -127.9 138.85 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HB3' HD11 ' A' ' 76' ' ' LEU . 29.2 mt-10 -86.52 134.88 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 9.6 m -131.83 144.71 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 108.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 1.2 tt -91.92 115.7 28.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.937 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.92 153.99 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.533 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 173.44 -172.82 45.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' THR . 3.3 t0 -130.02 -177.39 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 72' ' ' THR . 0.9 OUTLIER -69.12 56.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.257 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' GLU . 23.9 p -158.44 -54.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.405 ' C ' ' SG ' ' A' ' 74' ' ' CYS . . . -160.08 -176.25 31.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.541 ' CA ' HG11 ' A' ' 19' ' ' VAL . 1.7 m -147.16 163.37 36.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.594 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -152.61 163.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -89.38 104.36 16.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.1 t80 -103.88 141.89 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.599 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 88.6 m -98.31 132.86 43.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.663 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -123.88 131.15 53.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' A' ' 63' ' ' ILE . 1.1 mmt180 -73.06 172.3 11.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -49.81 -23.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 80' ' ' ARG . 2.1 m-20 -90.36 -57.14 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -54.77 -42.73 72.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.8 p -38.6 -46.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 58.9 m-20 -54.61 -55.08 33.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.804 HD22 ' HB2' ' A' ' 119' ' ' ALA . 7.9 mt -63.5 -37.23 86.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.937 ' CE ' HG21 ' A' ' 68' ' ' ILE . 47.0 mmm -87.91 38.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.432 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.22 155.71 93.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.405 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 132.2 15.14 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.42 21.47 62.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -124.63 160.26 28.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.648 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 61.6 m -116.4 143.19 45.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.475 HG13 ' C ' ' A' ' 92' ' ' THR . 23.9 m -155.18 153.75 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.707 ' CG1' HG23 ' A' ' 32' ' ' THR . 29.7 mt -107.48 160.51 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.871 HD22 HD21 ' A' ' 109' ' ' LEU . 4.4 mp -121.73 114.96 21.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 12.0 mtp180 -107.78 113.18 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.4 t30 79.65 34.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.8 p -80.15 145.16 32.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -113.55 171.74 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mm -125.94 123.76 64.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.453 ' OD2' ' NH2' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -94.64 125.76 39.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -72.84 102.2 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.7 t80 -90.62 159.06 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.46 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.784 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.67 32.21 61.32 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.784 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.2 p -162.31 -173.25 3.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -151.34 175.14 12.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.453 ' NH2' ' OD2' ' A' ' 101' ' ' ASP . 35.6 mtm105 -155.1 166.4 33.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.871 HD21 HD22 ' A' ' 95' ' ' LEU . 20.0 tp -97.3 136.72 37.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.07 163.18 29.4 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.1 t -124.7 130.67 73.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.62 175.93 9.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -20.66 64.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -93.69 10.37 33.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 107.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -128.97 140.3 11.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.28 161.32 35.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.536 ' HB ' HD13 ' A' ' 86' ' ' LEU . 2.7 mt -77.68 153.8 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -96.4 -57.51 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.804 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 84.36 49.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.576 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.1 OUTLIER -37.84 -59.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 110.405 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.576 ' H ' HG23 ' A' ' 120' ' ' THR . . . 140.74 -62.89 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.38 143.93 30.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 1.091 ' HB1' ' CE2' ' A' ' 125' ' ' PHE . . . -88.35 -51.35 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER 83.39 -3.47 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 1.091 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 7.5 p90 -114.95 159.63 20.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.7 m -94.74 121.89 36.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.827 HG21 HD11 ' A' ' 36' ' ' ILE . 20.7 t -59.47 126.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 5.6 tttt -62.71 86.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.9 53.49 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -142.99 -47.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.717 ' O ' HD23 ' A' ' 133' ' ' LEU . 65.2 t30 -91.94 45.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.493 ' OD1' ' CB ' ' A' ' 134' ' ' SER . 59.6 t-20 -63.8 103.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.771 HD11 ' O ' ' A' ' 19' ' ' VAL . 3.6 mt -64.35 -12.69 44.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.493 ' CB ' ' OD1' ' A' ' 132' ' ' ASN . 1.2 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.967 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' HG22 ' A' ' 30' ' ' THR . 4.7 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.532 0.206 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -108.24 -170.83 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 15.5 mmtt -133.73 179.29 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.796 HG12 HD11 ' A' ' 133' ' ' LEU . 98.3 t -74.56 -40.97 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.56 -6.49 44.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.96 1.84 48.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 100' ' ' ILE . 53.9 mt -79.91 157.07 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 9.7 mttt -171.6 166.23 4.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.39 31.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.94 35.83 17.39 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -134.48 157.81 45.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -150.94 173.76 13.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.69 92.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -118.79 155.13 31.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.57 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.495 HG22 ' CE2' ' A' ' 16' ' ' PHE . 3.6 m -134.85 104.6 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -153.12 166.97 30.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.777 HG23 HG13 ' A' ' 94' ' ' ILE . 7.2 m -104.65 111.17 23.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.49 134.7 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -107.63 120.19 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.7 t -65.48 145.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.803 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -119.04 -50.81 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 7.1 mt-10 -136.65 163.02 31.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -149.51 107.52 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.618 ' C ' HG13 ' A' ' 64' ' ' VAL . 13.3 m-80 -139.08 148.86 43.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.618 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.1 t -129.64 138.52 54.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.526 ' HG2' HD21 ' A' ' 76' ' ' LEU . 48.1 mt-10 -90.45 115.43 27.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 7.2 m -112.94 146.9 38.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' ILE . 21.2 tp -92.65 122.16 34.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.847 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.81 154.16 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.678 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 173.63 -165.1 36.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.437 1.086 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.596 ' OD1' ' CE1' ' A' ' 125' ' ' PHE . 11.3 t0 -137.12 -179.23 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -47.46 -23.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.446 ' O ' ' CE ' ' A' ' 128' ' ' LYS . 23.9 p -75.9 -78.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.438 ' C ' HG11 ' A' ' 19' ' ' VAL . . . -146.99 -172.41 17.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.525 ' N ' HG11 ' A' ' 19' ' ' VAL . 1.1 p -140.2 166.18 25.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.677 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -148.22 164.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.526 HD21 ' HG2' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -85.13 114.74 22.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.652 ' HE2' HD21 ' A' ' 95' ' ' LEU . 2.0 t80 -116.09 140.37 49.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 82.9 m -99.59 129.06 45.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.737 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -121.83 131.25 53.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.9 mmt180 -72.61 172.36 10.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -50.73 -21.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.8 OUTLIER -90.94 -55.92 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.4 -43.44 88.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.7 p -38.48 -45.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -54.68 -54.36 42.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.936 HD22 ' HB2' ' A' ' 119' ' ' ALA . 4.3 mt -65.32 -35.38 80.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.847 ' CE ' HG21 ' A' ' 68' ' ' ILE . 62.0 mmm -87.7 41.27 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -74.94 155.73 86.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.4 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.97 133.06 16.17 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.98 20.47 61.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.14 162.38 22.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.592 ' OG1' ' HB2' ' A' ' 123' ' ' ALA . 90.9 m -120.68 130.53 54.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.966 HG12 ' HA ' ' A' ' 119' ' ' ALA . 19.4 m -140.02 161.73 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.777 HG13 HG23 ' A' ' 32' ' ' THR . 15.4 mt -117.28 154.73 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.781 HD22 ' CD2' ' A' ' 109' ' ' LEU . 2.2 mp -117.21 114.47 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 3.7 mtt180 -109.66 118.26 36.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.7 t30 79.51 20.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.407 ' CB ' HD23 ' A' ' 95' ' ' LEU . 18.6 p -66.83 144.92 56.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.82 140.01 53.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.533 HD11 HD13 ' A' ' 22' ' ' LEU . 12.3 mm -90.91 127.61 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 107' ' ' MET . 2.4 m-20 -94.7 125.52 39.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.422 ' HE1' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -80.29 95.91 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.512 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 8.3 t80 -83.6 158.05 22.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -41.45 97.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' PHE . . . 57.38 38.49 87.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -167.49 179.89 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.397 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 1.1 ptt? -152.88 165.88 34.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -154.29 166.64 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.781 ' CD2' HD22 ' A' ' 95' ' ' LEU . 20.7 tp -94.49 138.16 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -152.76 169.47 31.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.47 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 53.8 t -130.35 130.43 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -80.34 174.32 11.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -23.19 67.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -91.11 12.95 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 107.962 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.3 148.88 17.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -145.01 153.56 41.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.5 mt -78.18 151.87 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.648 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 7.1 tp10 -95.47 -48.35 5.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.966 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 81.25 40.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.532 HG21 HG23 ' A' ' 32' ' ' THR . 1.8 t -39.88 152.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -40.79 -93.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.29 169.1 18.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.592 ' HB2' ' OG1' ' A' ' 92' ' ' THR . . . -91.54 137.0 32.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.7 t -106.87 10.75 30.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CE1' ' OD1' ' A' ' 70' ' ' ASP . 5.2 p90 -129.31 160.39 33.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.1 m -102.71 114.82 29.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.803 HG21 HD11 ' A' ' 36' ' ' ILE . 17.2 t -55.69 124.15 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' ' 72' ' ' THR . 3.9 ttmm -79.05 89.72 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 59.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.09 -45.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.425 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 58.6 t30 -86.33 50.46 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -74.05 136.04 43.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.796 HD11 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -113.75 19.37 16.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 30' ' ' THR . 5.9 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.521 0.201 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -170.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HD2' HG21 ' A' ' 72' ' ' THR . 15.8 mttt -131.47 176.53 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.684 HG13 ' CG2' ' A' ' 75' ' ' ILE . 79.2 t -73.52 -47.29 45.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 14.3 pt-20 -68.95 -7.47 35.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -10.83 35.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.29 159.0 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -166.37 165.25 10.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.498 ' HB3' ' HE3' ' A' ' 102' ' ' MET . 18.2 Cg_endo -74.98 143.31 28.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.12 43.96 8.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 p -138.12 157.45 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -149.14 169.34 20.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 41.11 93.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -121.4 155.78 34.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.4 HG22 ' CE2' ' A' ' 16' ' ' PHE . 2.8 m -135.46 110.86 9.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.424 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -157.09 165.69 35.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.631 HG23 HG13 ' A' ' 94' ' ' ILE . 4.3 m -100.97 106.02 17.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.3 m -101.62 133.15 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.1 tttt -106.5 123.21 47.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.56 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -69.03 144.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.544 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -119.57 -51.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.27 170.6 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.65 107.67 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.691 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -130.02 145.41 51.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.794 HG22 HG22 ' A' ' 64' ' ' VAL . 13.3 pt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.566 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.6 mm . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 40' ' ' ILE . 87.1 t -141.31 139.87 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -86.29 131.74 34.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.7 m -129.37 148.98 51.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 108.313 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.443 HD21 ' OE1' ' A' ' 129' ' ' GLU . 22.1 tp -97.18 118.52 33.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.857 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -134.32 153.2 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.657 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 172.1 -157.98 28.25 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.459 1.099 . . . . 0.0 111.052 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.505 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 12.2 t0 -136.14 -179.4 5.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -50.66 -25.13 3.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.463 HG21 ' HD2' ' A' ' 18' ' ' LYS . 51.1 p -70.78 -79.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -140.51 -172.72 13.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.43 ' CA ' HG11 ' A' ' 19' ' ' VAL . 1.1 p -144.28 157.57 44.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.684 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.06 163.47 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 76' ' ' LEU . 11.3 mt -88.65 121.75 31.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.788 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.4 t80 -124.83 134.91 52.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.566 ' CG2' HD12 ' A' ' 63' ' ' ILE . 22.3 m -88.98 129.17 35.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -116.55 133.83 55.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.443 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.43 164.43 26.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.569 ' O ' HG12 ' A' ' 84' ' ' VAL . 47.5 t-20 -45.59 -24.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -87.03 -63.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 84' ' ' VAL . 20.8 mt-30 -52.14 -37.7 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.9 p -38.45 -41.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -55.93 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.927 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.9 mt -63.58 -27.53 69.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.857 ' CE ' HG21 ' A' ' 68' ' ' ILE . 51.1 mmm -96.33 38.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.38 156.25 85.48 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 132.95 15.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.17 22.81 58.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.21 158.54 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.871 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 23.1 m -114.34 136.42 53.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.727 HG11 ' O ' ' A' ' 86' ' ' LEU . 21.8 m -148.54 160.37 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.631 HG13 HG23 ' A' ' 32' ' ' THR . 7.4 mt -114.1 159.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.788 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.7 mp -121.07 115.53 23.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.01 125.71 53.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 70.61 25.9 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.6 p -68.14 141.91 55.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.04 146.4 34.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.567 HD12 ' SD ' ' A' ' 107' ' ' MET . 21.3 mm -103.97 118.43 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 107' ' ' MET . 1.0 OUTLIER -94.3 124.33 38.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.508 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.35 96.4 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.691 ' HB3' HG23 ' A' ' 106' ' ' THR . 5.1 t80 -81.36 159.08 24.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.618 ' O ' HG22 ' A' ' 106' ' ' THR . 0.7 OUTLIER -40.21 96.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.775 ' C ' HG22 ' A' ' 106' ' ' THR . . . 58.9 52.66 52.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.775 HG22 ' C ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER 169.28 179.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.365 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.567 ' SD ' HD12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -147.7 158.87 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -137.1 167.46 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.693 ' CD2' HD22 ' A' ' 95' ' ' LEU . 16.3 tp -95.33 139.75 31.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -158.44 168.92 34.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.67 122.2 54.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.57 175.86 7.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -21.49 66.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -95.02 25.88 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -142.47 145.93 16.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.45 155.74 47.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.9 mt -77.45 155.92 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -97.48 -56.31 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.927 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 84.16 51.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.509 ' HB ' HD12 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -40.23 -53.76 2.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.414 ' H ' HG23 ' A' ' 120' ' ' THR . . . 140.36 -79.95 0.27 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.68 153.54 51.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.751 . . . . 0.0 109.287 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.871 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -99.47 141.76 31.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.97 14.9 30.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.059 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.505 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.0 p90 -128.69 156.93 42.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.6 m -98.98 110.19 22.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.544 HG21 HD11 ' A' ' 36' ' ' ILE . 40.9 t -56.66 140.23 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.49 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 4.4 ttpt -101.57 106.62 17.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.443 ' OE1' HD21 ' A' ' 67' ' ' LEU . 1.1 mt-10 -86.56 48.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -127.25 -44.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.49 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 15.7 t-20 -92.36 43.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -62.7 136.2 57.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.626 HD11 HG12 ' A' ' 19' ' ' VAL . 2.5 mt -97.8 -2.09 41.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.474 0.178 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.848 HG13 HD13 ' A' ' 31' ' ' LEU . 11.8 p -93.7 175.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.651 ' H ' HG22 ' A' ' 17' ' ' VAL . 2.0 mmtm -123.44 168.77 12.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.632 HG12 HD11 ' A' ' 133' ' ' LEU . 85.8 t -72.25 -38.97 63.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.76 -8.39 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.01 -9.88 32.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.54 158.57 20.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -165.8 163.31 12.55 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HB3' ' HE3' ' A' ' 102' ' ' MET . 18.3 Cg_endo -74.99 141.63 26.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.78 29.22 29.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 27' ' ' THR . 69.0 p -122.34 161.27 23.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 26' ' ' THR . 2.5 p -154.92 176.56 12.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.85 90.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -121.47 158.56 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 0.0 109.585 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.4 m -138.16 106.32 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.848 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -152.89 166.67 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.529 HG23 HG21 ' A' ' 120' ' ' THR . 57.5 m -101.53 112.81 25.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.44 137.72 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.572 ' HG3' ' HB2' ' A' ' 123' ' ' ALA . 2.2 tttm -108.6 120.2 41.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.462 ' O ' HD13 ' A' ' 36' ' ' ILE . 2.4 t -69.15 145.19 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.688 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.89 -51.16 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.03 167.11 20.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.77 104.24 2.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.608 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -128.52 135.95 50.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.44 ' HA ' HG22 ' A' ' 64' ' ' VAL . 17.1 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.4 mm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.608 HG13 ' C ' ' A' ' 39' ' ' ASN . 96.9 t -130.11 140.85 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.717 ' HB3' HD11 ' A' ' 76' ' ' LEU . 35.0 mt-10 -94.0 123.23 37.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -121.65 144.09 48.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD22 HG13 ' A' ' 36' ' ' ILE . 6.5 tt -87.86 118.99 27.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.902 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.54 153.93 39.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.433 ' O ' HG22 ' A' ' 127' ' ' VAL . . . 172.84 -172.35 45.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -131.86 -179.35 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.23 -25.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.453 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 11.6 p -73.07 -79.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.22 -172.46 18.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -138.92 167.84 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.703 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -151.17 163.27 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -85.04 109.36 18.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.806 ' CE1' HD21 ' A' ' 95' ' ' LEU . 76.7 t80 -109.12 151.04 26.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.6 m -106.13 125.61 51.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.681 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -115.36 132.06 56.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.3 mmm-85 -72.78 169.81 15.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -50.75 -21.69 1.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -91.59 -55.78 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' VAL . 2.1 mt-30 -57.21 -40.26 77.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.6 p -38.17 -44.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 14.4 m-20 -57.78 -54.95 41.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.941 HD22 ' HB2' ' A' ' 119' ' ' ALA . 4.2 mt -63.53 -31.44 72.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.902 ' CE ' HG21 ' A' ' 68' ' ' ILE . 61.0 mmm -91.95 41.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -75.01 155.19 86.62 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.36 15.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.15 21.86 58.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.77 158.91 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.878 ' OG1' ' HB2' ' A' ' 123' ' ' ALA . 32.8 m -116.11 132.98 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.731 HG12 ' HA ' ' A' ' 119' ' ' ALA . 25.4 m -145.31 159.61 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.56 HD12 ' HB ' ' A' ' 120' ' ' THR . 7.9 mt -111.21 150.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.806 HD21 ' CE1' ' A' ' 77' ' ' PHE . 1.9 mp -114.91 114.37 25.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -106.61 147.93 28.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 48.87 26.14 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.9 p -70.62 138.55 50.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.66 159.93 15.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' A' ' 107' ' ' MET . 16.0 mm -113.2 121.59 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 107' ' ' MET . 3.8 m-20 -94.81 123.9 38.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.534 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -81.11 101.64 9.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.656 ' HB3' HG23 ' A' ' 106' ' ' THR . 4.9 t80 -86.77 158.84 19.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.522 ' O ' HG22 ' A' ' 106' ' ' THR . 17.4 mtmt -40.61 97.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.781 ' C ' HG22 ' A' ' 106' ' ' THR . . . 61.47 55.02 31.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.781 HG22 ' C ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER 165.27 176.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.378 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.555 ' SD ' HD12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -138.94 160.83 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.661 HH21 HD12 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -138.68 167.5 21.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.703 ' HB3' HD11 ' A' ' 75' ' ' ILE . 15.7 tp -96.93 141.82 29.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -159.13 164.0 33.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.416 HG13 ' HA3' ' A' ' 115' ' ' GLY . 62.6 t -125.78 138.52 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -93.43 174.21 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -59.99 -28.02 67.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.411 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 5.8 m95 -86.25 5.18 35.56 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.416 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -120.75 145.54 17.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -143.55 157.44 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.39 156.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.641 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -98.96 -52.93 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.941 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 81.57 46.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.56 ' HB ' HD12 ' A' ' 94' ' ' ILE . 1.7 t -47.45 173.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.419 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -59.16 -96.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -122.47 168.49 12.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.878 ' HB2' ' OG1' ' A' ' 92' ' ' THR . . . -75.06 -62.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 2.7 t 82.35 -1.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 34' ' ' LYS . 6.7 p90 -133.61 161.44 34.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 84.2 m -104.06 124.3 48.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.688 HG21 HD11 ' A' ' 36' ' ' ILE . 43.6 t -64.02 141.57 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -97.81 85.88 3.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.96 -13.4 34.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -21.21 60.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -117.73 63.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -88.89 124.38 34.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.639 HD23 ' N ' ' A' ' 133' ' ' LEU . 0.5 OUTLIER -84.85 -5.46 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' THR . 29.6 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.516 0.198 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -169.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 2.4 mttm -133.27 167.22 20.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.718 HG12 ' CD1' ' A' ' 133' ' ' LEU . 60.4 t -62.71 -53.01 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -61.43 -13.84 23.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.51 2.31 53.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.0 mt -84.93 152.71 23.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -163.15 167.4 11.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.5 29.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.87 8.5 67.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 27' ' ' THR . 43.0 p -108.2 159.67 16.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 110.368 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 26' ' ' THR . 3.9 p -155.96 174.0 15.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.46 90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.57 1.169 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.491 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 79.2 m-70 -122.66 158.05 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 5.6 m -133.09 115.53 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -162.29 166.85 24.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.83 HG23 HG13 ' A' ' 94' ' ' ILE . 20.2 m -101.46 122.16 43.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.92 135.29 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.496 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.2 tttt -107.21 118.68 37.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.241 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.602 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.9 t -66.49 147.16 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.821 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.08 -50.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -133.4 161.89 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.34 106.0 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.656 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -128.86 141.68 51.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.625 HG22 HG22 ' A' ' 64' ' ' VAL . 34.8 pt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 80' ' ' ARG . 2.6 mm . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.656 HG13 ' C ' ' A' ' 39' ' ' ASN . 99.5 t -134.16 140.11 46.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.518 ' CG ' HD11 ' A' ' 76' ' ' LEU . 32.9 mt-10 -90.76 128.66 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.55 153.57 45.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.456 HD21 ' SG ' ' A' ' 74' ' ' CYS . 5.8 tt -100.82 116.44 32.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.923 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.92 152.33 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.501 ' O ' HG22 ' A' ' 127' ' ' VAL . . . 170.34 -167.94 41.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.467 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 2.2 t70 -128.77 -179.7 5.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 72' ' ' THR . 4.2 pt-20 -46.1 -26.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 17.3 p -67.04 -78.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.33 -173.21 21.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.456 ' SG ' HD21 ' A' ' 67' ' ' LEU . 8.2 p -134.58 169.05 17.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.623 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.05 162.17 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -88.29 100.91 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.792 ' CE2' HD21 ' A' ' 95' ' ' LEU . 7.3 t80 -105.41 138.68 41.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 91.1 m -93.77 132.11 38.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.681 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -121.68 129.65 52.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HA ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -72.11 169.87 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' VAL . 51.0 t30 -50.26 -20.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -90.69 -59.74 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 86' ' ' LEU . 30.8 mt-30 -57.55 -41.79 81.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' GLN . 5.4 p -37.35 -47.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 84' ' ' VAL . 8.7 m-20 -55.11 -54.55 41.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.919 HD22 ' HB2' ' A' ' 119' ' ' ALA . 2.3 mt -64.34 -28.23 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.923 ' CE ' HG21 ' A' ' 68' ' ' ILE . 60.6 mmm -93.16 35.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.476 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.2 158.38 88.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.32 13.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.27 27.64 51.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -128.95 137.78 51.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.504 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 21.8 m -93.7 129.66 39.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.799 HG11 ' O ' ' A' ' 86' ' ' LEU . 35.0 m -141.36 152.69 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.83 HG13 HG23 ' A' ' 32' ' ' THR . 4.7 mt -111.65 149.37 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.997 HD22 HD21 ' A' ' 109' ' ' LEU . 2.8 mp -110.95 128.3 55.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -119.66 121.12 38.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 71.91 26.48 2.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.574 ' CB ' HD23 ' A' ' 95' ' ' LEU . 70.0 p -70.35 127.7 33.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 9.1 ptm180 -102.89 159.26 15.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -108.18 122.59 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.414 ' OD1' ' NH2' ' A' ' 99' ' ' ARG . 4.0 m-20 -95.26 124.43 39.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.432 ' HE3' ' O ' ' A' ' 106' ' ' THR . 8.5 tpt -72.99 120.78 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' GLY . 5.3 t80 -112.27 158.97 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' A' ' 106' ' ' THR . 3.5 ptpt -39.85 95.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.663 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.63 41.4 73.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -170.87 -179.37 2.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 110.349 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -149.94 172.95 14.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -155.03 159.89 40.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.997 HD21 HD22 ' A' ' 95' ' ' LEU . 34.3 tp -96.71 136.15 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -152.52 178.57 29.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 t -132.92 126.37 53.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.88 170.56 16.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -59.52 -22.26 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 7.2 m95 -93.92 25.49 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -146.5 145.43 14.33 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.84 158.86 43.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 0.769 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 mt -78.81 155.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.3 tt0 -94.76 -53.05 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.919 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 84.16 44.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.607 HG21 HG23 ' A' ' 32' ' ' THR . 2.1 t -47.83 172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -62.89 -108.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.86 178.15 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.504 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -113.86 125.76 54.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 t -91.25 3.02 55.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 6.4 p90 -117.01 160.69 20.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 60.6 m -106.72 117.23 33.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.821 HG21 HD11 ' A' ' 36' ' ' ILE . 59.7 t -54.66 148.01 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.455 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 7.0 tttt -105.58 102.34 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.36 53.99 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.45 -47.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.565 ' O ' HD23 ' A' ' 133' ' ' LEU . 11.3 t-20 -87.55 46.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -59.41 133.77 56.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.718 ' CD1' HG12 ' A' ' 19' ' ' VAL . 6.0 mt -94.91 -14.65 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.48 0.181 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 1.3 m -102.44 -170.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 31' ' ' LEU . 6.4 mttt -135.11 -179.98 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.752 HG12 HD11 ' A' ' 133' ' ' LEU . 94.2 t -74.72 -39.85 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -71.62 -8.54 54.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.57 -4.44 50.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -79.92 154.24 28.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.25 168.83 8.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.43 ' HB3' ' SD ' ' A' ' 102' ' ' MET . 18.4 Cg_endo -75.0 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.553 1.817 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.08 33.85 5.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 27' ' ' THR . 68.2 p -128.64 160.04 33.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 26' ' ' THR . 2.4 p -152.68 167.4 29.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.62 93.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -122.35 144.63 48.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 0.0 109.575 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 17' ' ' VAL . 26.8 m -124.55 113.24 17.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -161.37 168.73 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.586 HG23 HG13 ' A' ' 94' ' ' ILE . 27.6 m -104.31 108.44 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -101.71 136.99 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.4 tttt -110.92 119.94 40.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.6 t -66.32 145.64 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.631 HD11 HG21 ' A' ' 127' ' ' VAL . 1.9 mm -121.88 -47.72 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.9 mt-10 -135.46 160.6 37.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.13 107.29 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.674 ' C ' HG13 ' A' ' 64' ' ' VAL . 5.9 m120 -139.04 154.16 48.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.8 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mm . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.674 HG13 ' C ' ' A' ' 39' ' ' ASN . 79.4 t -135.0 137.53 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.651 ' HB3' HD11 ' A' ' 76' ' ' LEU . 59.4 mt-10 -87.88 140.33 29.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 10.8 m -136.91 148.28 46.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 67' ' ' LEU . 14.6 tp -93.99 116.07 28.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.949 HG21 ' HE1' ' A' ' 87' ' ' MET . 0.1 OUTLIER -129.49 154.18 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.575 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 167.8 -170.14 41.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -126.63 -179.29 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -25.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.429 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.7 p -70.68 -79.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.16 -172.26 17.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.457 ' CA ' HG11 ' A' ' 19' ' ' VAL . 24.0 p -142.38 169.7 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.592 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.0 163.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -84.67 104.08 14.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.852 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.8 t80 -103.76 144.08 31.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.563 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 56.6 m -101.91 130.67 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.744 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -121.52 133.59 55.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -72.85 169.16 17.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.438 ' O ' HG12 ' A' ' 84' ' ' VAL . 16.3 p-10 -47.91 -23.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.4 OUTLIER -89.25 -59.35 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -54.7 -42.1 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.3 p -37.58 -45.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -58.71 -53.72 55.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.837 HD22 ' HB2' ' A' ' 119' ' ' ALA . 12.3 mt -63.94 -31.53 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.949 ' HE1' HG21 ' A' ' 68' ' ' ILE . 57.8 mmm -91.11 37.36 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.455 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -71.23 157.06 90.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 131.64 14.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.62 19.85 59.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -122.62 151.37 41.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.849 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 48.2 m -111.83 127.73 55.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.937 HG12 ' HA ' ' A' ' 119' ' ' ALA . 35.3 m -138.51 155.79 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.586 HG13 HG23 ' A' ' 32' ' ' THR . 34.3 mt -109.22 152.88 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.852 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.7 mp -118.39 114.63 23.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -109.17 118.77 37.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.0 t30 80.79 21.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 p -67.02 127.91 34.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.41 146.24 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.44 HD11 HD13 ' A' ' 109' ' ' LEU . 24.5 mm -95.29 124.83 48.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.42 124.86 38.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.43 ' SD ' ' HB3' ' A' ' 24' ' ' PRO . 6.1 tpt -74.56 98.81 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 106' ' ' THR . 10.1 t80 -87.99 159.6 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.436 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 29.5 mtmt -40.16 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.816 ' O ' HG23 ' A' ' 106' ' ' THR . . . 53.46 37.16 55.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.2 p -163.15 174.29 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -143.27 163.67 32.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -153.26 166.73 31.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.491 ' CB ' HD11 ' A' ' 75' ' ' ILE . 13.8 tp -95.83 137.5 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -152.48 173.81 31.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 72.2 t -135.92 136.02 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.54 175.84 6.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -21.43 61.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -94.77 27.47 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.437 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -146.5 136.83 6.44 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.59 154.02 48.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.0 mt -78.14 156.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.726 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.6 tt0 -95.75 -60.11 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.937 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 88.84 36.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.528 HG21 HG23 ' A' ' 32' ' ' THR . 1.6 t -41.07 162.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.76 88.46 1.59 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 56.08 166.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.849 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -105.69 148.57 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.5 t -101.99 19.52 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.946 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -136.98 165.72 25.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.7 m -106.61 109.97 22.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.631 HG21 HD11 ' A' ' 36' ' ' ILE . 52.9 t -54.9 146.44 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 130' ' ' ASP . 3.5 ttpt -101.19 83.74 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.18 65.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -163.89 -42.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -85.19 50.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 132' ' ' ASN . 0.5 OUTLIER -76.16 143.1 41.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.752 HD11 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.05 21.04 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.471 0.177 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.86 HG13 HD13 ' A' ' 31' ' ' LEU . 14.6 p -95.49 173.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.593 ' H ' HG22 ' A' ' 17' ' ' VAL . 4.1 mmtt -121.71 171.73 8.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.598 HG12 ' CD1' ' A' ' 133' ' ' LEU . 94.8 t -73.19 -42.98 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.93 -7.13 32.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -92.46 -15.31 27.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.7 154.04 37.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.22 158.4 29.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB3' ' CE ' ' A' ' 102' ' ' MET . 18.2 Cg_endo -75.02 56.84 4.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' C ' HG23 ' A' ' 26' ' ' THR . . . 177.62 48.72 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.51 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 40.8 p -152.98 151.34 30.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -136.64 165.72 25.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.87 92.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.51 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.1 m-70 -115.2 158.87 21.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.592 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.409 HG23 ' HD3' ' A' ' 96' ' ' ARG . 32.5 m -138.91 105.7 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.86 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -154.17 163.48 40.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.692 HG23 HG13 ' A' ' 94' ' ' ILE . 8.7 m -97.35 108.3 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.5 m -101.74 137.19 30.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.9 tttt -108.15 120.54 42.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.5 t -67.88 145.14 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -120.22 -48.74 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 4.5 mt-10 -139.01 165.24 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.447 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -153.82 106.3 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.522 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -129.17 142.04 50.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.515 HG22 HG22 ' A' ' 64' ' ' VAL . 29.3 pt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.411 HD12 ' CG2' ' A' ' 78' ' ' THR . 2.2 mm . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.522 HG13 ' C ' ' A' ' 39' ' ' ASN . 96.4 t -130.04 141.33 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -94.52 127.93 40.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.0 m -125.58 148.82 48.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 67' ' ' LEU . 15.8 tp -97.31 117.82 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.89 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.57 153.32 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.437 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 170.11 -170.64 43.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.592 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -124.86 -179.38 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -31.2 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.449 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.7 p -63.47 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.83 -172.84 18.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.117 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.434 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 25.8 p -137.02 168.89 18.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.568 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.98 163.22 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 101.61 14.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.667 ' CE2' HD21 ' A' ' 95' ' ' LEU . 10.4 t80 -107.28 133.36 51.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 31.2 m -86.71 135.94 33.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.341 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.596 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -122.65 129.48 51.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.44 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.15 165.76 23.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.54 ' O ' HG12 ' A' ' 84' ' ' VAL . 31.5 t30 -46.94 -23.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.44 ' N ' ' C ' ' A' ' 80' ' ' ARG . 1.7 m-20 -87.65 -61.53 1.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 84' ' ' VAL . 31.4 mt-30 -54.39 -39.21 67.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.9 p -38.05 -42.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.1 -56.17 25.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.973 HD22 ' HB2' ' A' ' 119' ' ' ALA . 13.5 mt -64.07 -26.07 68.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.89 ' CE ' HG21 ' A' ' 68' ' ' ILE . 51.5 mmm -97.46 44.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.89 153.74 80.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.447 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.04 125.66 9.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.5 28.37 22.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.087 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.15 161.19 35.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.665 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 82.0 m -116.01 137.86 51.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.56 HG11 ' O ' ' A' ' 86' ' ' LEU . 31.1 m -153.43 156.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.692 HG13 HG23 ' A' ' 32' ' ' THR . 12.9 mt -106.2 156.77 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.667 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.5 mp -117.67 114.08 22.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.409 ' HD3' HG23 ' A' ' 30' ' ' THR . 0.4 OUTLIER -106.14 130.99 53.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.0 t30 65.9 33.03 8.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.557 ' HB2' HD11 ' A' ' 109' ' ' LEU . 14.0 p -80.64 130.49 35.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -106.44 165.03 11.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.6 mm -117.19 120.73 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.37 125.59 40.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.51 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -72.38 101.71 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 111.044 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.1 t80 -89.08 158.88 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.32 97.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.812 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.99 32.33 62.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.812 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.1 p -163.07 -173.95 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.393 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -153.44 163.48 39.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -147.01 156.73 43.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.248 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.578 ' CD2' HD23 ' A' ' 95' ' ' LEU . 35.4 tp -97.48 134.61 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -148.9 164.78 29.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.8 131.33 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.42 176.25 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -40.94 89.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -68.37 -15.92 63.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.32 145.42 16.53 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.6 ptt85 -142.75 158.78 43.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.434 ' HB ' HD13 ' A' ' 86' ' ' LEU . 10.7 mt -77.09 156.34 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.685 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -99.79 -57.51 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.973 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 83.87 55.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.57 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.0 OUTLIER -42.33 -59.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.57 ' H ' HG23 ' A' ' 120' ' ' THR . . . 149.62 -78.61 0.22 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.0 156.12 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.665 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -97.24 140.66 31.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.25 6.21 32.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.158 . . . . 0.0 109.97 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 4.7 p90 -121.53 167.0 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.2 m -109.28 109.33 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 36' ' ' ILE . 61.9 t -54.85 147.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 131' ' ' ASN . 4.0 ttmm -104.5 96.09 6.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.72 57.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -147.31 -46.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.413 ' CB ' ' HD2' ' A' ' 128' ' ' LYS . 57.6 t30 -83.54 54.22 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -70.23 134.51 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.598 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.9 mt -95.84 -18.75 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.542 0.21 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.82 HG13 HD13 ' A' ' 31' ' ' LEU . 8.3 p -91.08 177.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.731 ' H ' HG22 ' A' ' 17' ' ' VAL . 8.1 mmtp -123.97 163.14 21.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.86 HG12 HD11 ' A' ' 133' ' ' LEU . 57.7 t -64.13 -49.05 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -64.77 -10.03 24.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.75 2.31 53.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 90.4 mt -79.66 150.34 30.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 5.2 mttt -158.74 157.47 28.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 141.62 26.64 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.89 10.57 56.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.2 p -118.18 158.33 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p -146.58 179.32 7.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.438 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 39.39 92.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -122.58 161.22 24.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.588 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -141.27 109.73 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.82 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -155.47 171.09 20.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 HG13 ' A' ' 94' ' ' ILE . 25.0 m -106.02 106.98 17.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.7 m -101.75 134.43 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HD3' HD13 ' A' ' 36' ' ' ILE . 1.3 tttt -108.4 120.51 42.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.5 t -64.42 144.95 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.628 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -120.57 -50.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -135.33 159.76 40.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -150.32 104.78 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.681 ' C ' HG13 ' A' ' 64' ' ' VAL . 6.5 m120 -138.95 146.27 40.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.744 HG22 HG22 ' A' ' 64' ' ' VAL . 50.2 pt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.744 HG22 HG22 ' A' ' 40' ' ' ILE . 72.8 t -136.29 139.0 46.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -87.78 126.94 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -125.69 150.95 47.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.251 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.48 119.91 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.904 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.64 152.8 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.466 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 169.96 -164.28 37.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.571 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 3.9 t70 -135.07 -179.51 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 72' ' ' THR . 14.8 pt-20 -44.7 -33.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.418 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 11.5 p -62.15 -78.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.6 -173.09 19.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.411 ' CA ' HG11 ' A' ' 19' ' ' VAL . 13.8 p -140.07 164.09 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.804 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -143.99 163.61 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -89.76 102.02 14.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.598 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.9 t80 -104.4 144.85 31.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.594 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 40.9 m -100.0 132.4 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.737 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -118.76 132.89 56.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.439 ' C ' ' N ' ' A' ' 82' ' ' ASP . 6.2 mtt180 -72.5 164.94 25.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.549 ' O ' HG12 ' A' ' 84' ' ' VAL . 7.4 p-10 -46.49 -23.67 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.439 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -87.89 -63.38 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' LEU . 15.0 mt-30 -52.22 -36.61 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.6 p -39.54 -42.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.01 -50.95 71.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.922 HD22 ' HB2' ' A' ' 119' ' ' ALA . 4.9 mt -63.07 -42.16 99.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.904 ' CE ' HG21 ' A' ' 68' ' ' ILE . 54.4 mmm -80.95 50.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -82.02 151.46 66.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.482 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.02 132.93 15.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.54 23.66 53.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.37 161.5 29.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.492 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 63.3 m -116.66 129.47 56.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.87 HG12 ' HA ' ' A' ' 119' ' ' ALA . 31.1 m -141.0 155.38 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.469 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 31.5 mt -110.9 151.84 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.772 HD22 ' CD2' ' A' ' 109' ' ' LEU . 1.8 mp -116.1 118.26 32.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 128.79 56.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 t30 69.2 22.47 6.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.477 ' CB ' HD23 ' A' ' 95' ' ' LEU . 88.9 p -70.44 133.14 46.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.74 157.74 18.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.2 mm -107.59 125.54 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.64 126.08 40.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.52 96.76 4.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 106' ' ' THR . 6.0 t80 -85.15 156.84 20.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.81 97.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.894 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.83 42.57 92.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -175.18 -179.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.44 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -150.46 166.19 30.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -150.67 163.72 37.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.772 ' CD2' HD22 ' A' ' 95' ' ' LEU . 29.2 tp -97.02 135.82 38.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.41 170.27 30.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.476 HG13 ' C ' ' A' ' 115' ' ' GLY . 2.1 t -130.67 112.47 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -68.85 176.15 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -20.14 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -94.34 22.2 6.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 108.004 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.476 ' C ' HG13 ' A' ' 111' ' ' VAL . . . -143.05 143.43 12.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -136.3 154.7 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 110.262 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.423 ' HB ' HD13 ' A' ' 86' ' ' LEU . 5.7 mt -77.36 155.52 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.692 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -97.54 -59.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.922 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 85.05 44.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 93' ' ' VAL . 1.8 t -47.83 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.441 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -63.04 -98.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.65 168.46 15.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.492 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -94.52 125.47 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.1 p -92.7 8.67 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.571 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.9 p90 -126.2 160.18 30.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 97.3 m -104.17 112.2 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.628 HG21 HD11 ' A' ' 36' ' ' ILE . 43.0 t -56.28 141.68 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 8.9 tttp -98.49 96.48 8.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.33 56.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -146.32 -46.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.404 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 11.3 t-20 -85.61 64.6 8.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -82.09 138.28 34.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.86 HD11 HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -107.31 10.06 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.525 0.202 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.861 HG13 HD13 ' A' ' 31' ' ' LEU . 9.2 p -94.83 -178.25 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.798 ' H ' HG22 ' A' ' 17' ' ' VAL . 4.6 mmtm -126.13 170.66 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.786 HG12 HD11 ' A' ' 133' ' ' LEU . 90.5 t -73.52 -39.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.32 -5.0 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -97.04 -8.17 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.559 HD13 HD11 ' A' ' 100' ' ' ILE . 73.2 mt -70.42 140.64 52.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -137.79 160.22 65.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.447 ' HB3' ' CE ' ' A' ' 102' ' ' MET . 18.4 Cg_endo -74.97 55.51 3.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.464 ' C ' HG23 ' A' ' 26' ' ' THR . . . 166.67 62.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 71.3 p -153.03 147.55 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 28' ' ' GLY . 19.0 p -133.79 168.12 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 42.79 95.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.9 m-70 -122.77 159.26 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.569 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.5 m -140.54 104.75 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.861 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -152.09 167.08 29.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.715 HG23 HG13 ' A' ' 94' ' ' ILE . 2.9 m -102.49 107.84 18.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.9 m -103.59 134.24 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.581 ' HG3' ' HB2' ' A' ' 123' ' ' ALA . 10.0 tttt -107.1 120.01 40.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 91' ' ' ALA . 2.4 t -65.09 146.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.498 HD13 ' HD3' ' A' ' 34' ' ' LYS . 1.8 mm -120.91 -47.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 6.1 mt-10 -138.22 163.52 31.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.56 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -155.38 107.48 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.591 ' C ' HG13 ' A' ' 64' ' ' VAL . 5.9 m120 -138.98 145.47 39.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.503 HG22 HG22 ' A' ' 64' ' ' VAL . 50.0 pt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.431 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.4 mm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.591 HG13 ' C ' ' A' ' 39' ' ' ASN . 78.5 t -127.58 140.19 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -90.63 124.61 35.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 5.1 m -123.58 152.12 42.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 31.6 tp -100.88 120.68 40.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.94 HG21 ' HE1' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.38 153.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.593 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 171.31 -175.67 44.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD1' ' CD1' ' A' ' 125' ' ' PHE . 11.1 t0 -129.14 -178.83 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.11 -27.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.456 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 9.3 p -69.97 -79.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.14 -172.5 18.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.424 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 27.7 p -140.44 168.27 20.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.611 ' CD1' HD11 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -149.38 163.55 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 134' ' ' SER . 0.0 OUTLIER -87.09 101.84 13.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.882 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.7 t80 -101.42 143.28 31.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 30.1 m -102.12 126.51 49.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.443 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -117.63 133.27 56.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.2 mtt180 -72.6 169.69 16.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.421 ' O ' HG12 ' A' ' 84' ' ' VAL . 65.6 t30 -48.67 -22.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -89.84 -59.51 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -53.56 -40.31 65.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.9 p -38.59 -46.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -54.95 -56.09 23.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.884 HD22 ' HB2' ' A' ' 119' ' ' ALA . 13.0 mt -63.84 -30.32 71.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.94 ' HE1' HG21 ' A' ' 68' ' ' ILE . 60.4 mmm -95.67 43.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -76.17 155.66 84.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 134.56 17.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.7 22.74 63.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -128.01 154.1 46.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.828 HG21 ' HA ' ' A' ' 123' ' ' ALA . 96.4 m -110.52 137.12 48.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.701 ' HA ' HG22 ' A' ' 120' ' ' THR . 15.1 m -148.54 162.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.715 HG13 HG23 ' A' ' 32' ' ' THR . 16.4 mt -113.0 155.15 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.882 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.5 mp -120.01 113.85 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -108.39 127.87 54.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.83 19.22 3.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.4 p -69.62 128.42 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 154.86 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.559 HD11 HD13 ' A' ' 22' ' ' LEU . 19.1 mm -99.78 124.28 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.9 125.35 39.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.478 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -77.87 109.33 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 104' ' ' LYS . 16.6 t80 -99.82 158.27 15.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.56 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 40.7 mtmt -40.61 97.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 106' ' ' THR . . . 55.2 42.41 82.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -172.64 179.48 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.385 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -153.16 167.86 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.078 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -153.84 166.47 32.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.454 HD13 HD11 ' A' ' 100' ' ' ILE . 15.2 tp -95.49 137.45 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.41 178.31 27.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.429 ' CG1' ' C ' ' A' ' 115' ' ' GLY . 59.4 t -136.55 133.56 49.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.23 175.27 10.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.405 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -64.24 -26.7 68.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.405 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 25.1 m95 -89.67 9.83 25.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.429 ' C ' ' CG1' ' A' ' 111' ' ' VAL . . . -125.43 142.63 13.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.55 163.09 33.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.438 ' HB ' HD13 ' A' ' 86' ' ' LEU . 50.0 mt -78.17 157.29 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.4 tt0 -102.91 -46.18 4.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.884 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 75.05 63.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.815 HG21 HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -38.21 -88.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.654 ' H ' HG23 ' A' ' 120' ' ' THR . . . 161.97 -34.84 0.36 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -159.72 149.86 18.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.828 ' HA ' HG21 ' A' ' 92' ' ' THR . . . -74.8 -67.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 1.1 m 85.29 -8.82 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.489 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 3.8 p90 -127.48 156.31 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.9 m -93.85 109.99 21.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 69' ' ' GLY . 76.1 t -62.31 148.0 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 130' ' ' ASP . 1.4 ttpt -96.03 80.28 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.78 62.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -160.11 -43.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -83.52 50.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -72.4 143.82 48.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.786 HD11 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.29 22.17 14.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CE2' HG22 ' A' ' 30' ' ' THR . 4.6 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.5 0.191 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.544 HG23 HD13 ' A' ' 31' ' ' LEU . 3.1 m -103.7 -169.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.573 ' C ' HD12 ' A' ' 31' ' ' LEU . 5.4 mttm -130.05 -176.85 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.807 HG12 HD11 ' A' ' 133' ' ' LEU . 91.3 t -76.59 -44.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -69.48 -7.04 34.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -3.88 51.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.8 mt -81.53 150.81 28.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.46 164.3 15.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.94 10.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.52 26.95 5.43 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 27' ' ' THR . 42.5 p -132.71 162.37 31.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 26' ' ' THR . 2.6 p -153.05 168.23 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.78 93.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -122.62 160.42 25.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.605 HG22 ' CE2' ' A' ' 16' ' ' PHE . 2.9 m -136.6 112.15 9.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -160.06 164.98 32.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.799 HG23 HG13 ' A' ' 94' ' ' ILE . 1.1 m -98.27 115.14 27.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.82 136.84 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -110.16 120.86 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.5 t -66.94 143.95 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.584 HD11 HG21 ' A' ' 127' ' ' VAL . 2.1 mm -118.04 -48.98 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.9 mt-10 -137.51 159.04 43.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -150.24 107.97 3.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.706 ' C ' HG13 ' A' ' 64' ' ' VAL . 11.2 m-80 -139.27 152.59 47.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.0 pt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.706 HG13 ' C ' ' A' ' 39' ' ' ASN . 70.0 t -130.24 139.26 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -91.97 116.05 28.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.7 m -113.53 151.45 31.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.346 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.576 HD13 ' OE2' ' A' ' 129' ' ' GLU . 3.4 tt -101.12 118.41 36.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.833 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -130.75 154.99 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.55 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 171.81 -165.19 37.98 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.603 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -136.76 -179.24 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -46.91 -38.57 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 p -59.85 -82.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.21 -172.17 12.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.588 ' SG ' HG13 ' A' ' 127' ' ' VAL . 2.2 m -143.58 161.26 38.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -148.04 164.14 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.454 ' N ' HG12 ' A' ' 75' ' ' ILE . 6.2 mt -88.09 122.46 31.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CE2' HD21 ' A' ' 95' ' ' LEU . 8.4 t80 -122.11 137.05 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.9 m -92.12 125.3 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -112.08 129.71 56.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.457 ' C ' ' N ' ' A' ' 82' ' ' ASP . 13.7 mtt-85 -72.88 164.48 26.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.536 ' O ' HG12 ' A' ' 84' ' ' VAL . 4.3 t-20 -44.32 -25.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.457 ' N ' ' C ' ' A' ' 80' ' ' ARG . 35.5 t0 -87.07 -63.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' LEU . 20.1 mt-30 -52.6 -41.62 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.9 p -36.84 -42.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -59.25 -56.42 22.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.958 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.9 mt -64.08 -32.54 74.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.833 ' CE ' HG21 ' A' ' 68' ' ' ILE . 57.2 mmm -88.01 40.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.459 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -76.27 157.67 82.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.436 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.05 132.96 15.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.34 28.05 56.47 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.63 153.79 46.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 123' ' ' ALA . 15.8 m -107.75 130.36 54.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.421 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.609 HG11 ' O ' ' A' ' 86' ' ' LEU . 35.0 m -145.83 156.49 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.799 HG13 HG23 ' A' ' 32' ' ' THR . 9.5 mt -112.5 153.38 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' A' ' 77' ' ' PHE . 3.1 mp -112.53 115.98 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 9.2 mtp180 -112.7 118.85 36.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER 76.42 33.02 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -79.11 138.3 37.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -111.33 161.1 16.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 mm -112.23 121.3 64.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 107' ' ' MET . 0.5 OUTLIER -94.72 124.63 38.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -78.39 94.84 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 106' ' ' THR . 9.7 t80 -81.56 157.49 24.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -40.92 97.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.883 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.05 44.34 94.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.883 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -175.65 -179.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.356 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.404 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 0.9 OUTLIER -154.65 153.51 31.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 25.0 mtm105 -138.98 166.94 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.724 ' HB3' HD11 ' A' ' 75' ' ' ILE . 22.2 tp -96.69 137.92 35.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.69 163.92 30.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.496 HG13 ' C ' ' A' ' 115' ' ' GLY . 2.4 t -121.38 114.12 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.21 175.77 3.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -63.7 -20.58 65.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.412 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 10.6 m95 -95.33 20.98 8.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.017 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.496 ' C ' HG13 ' A' ' 111' ' ' VAL . . . -141.83 148.37 20.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -144.99 173.75 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.326 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 51.1 mt -94.82 157.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.658 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 16.2 tp10 -100.99 -47.12 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.958 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 82.44 47.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.469 HG22 ' CA ' ' A' ' 93' ' ' VAL . 1.7 t -48.55 171.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -60.53 -106.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.08 155.01 39.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.612 ' HB2' HG23 ' A' ' 92' ' ' THR . . . -79.9 142.23 35.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.12 8.91 21.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.603 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 5.3 p90 -124.54 158.78 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 87.1 m -99.67 108.65 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.588 HG13 ' SG ' ' A' ' 74' ' ' CYS . 49.8 t -56.25 128.48 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.442 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 7.1 tttp -90.67 95.62 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.576 ' OE2' HD13 ' A' ' 67' ' ' LEU . 3.7 mt-10 -77.65 53.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.82 -44.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.442 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 12.3 t-20 -86.89 46.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -64.14 142.85 58.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.807 HD11 HG12 ' A' ' 19' ' ' VAL . 1.3 mt -108.74 4.42 23.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.798 ' CE2' HG22 ' A' ' 30' ' ' THR . 4.5 m-85 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.532 0.206 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.54 -170.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.575 ' C ' HD12 ' A' ' 31' ' ' LEU . 8.2 mttm -133.72 176.36 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.762 HG12 HD11 ' A' ' 133' ' ' LEU . 98.2 t -71.76 -45.94 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -6.63 30.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.93 10.11 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.7 mt -86.95 148.15 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.07 168.05 7.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 155.38 42.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.18 16.51 78.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 27' ' ' THR . 43.9 p -117.56 159.46 22.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 26' ' ' THR . 5.9 p -156.5 174.16 15.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.11 78.34 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.3 m-70 -105.58 157.8 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.593 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.798 HG22 ' CE2' ' A' ' 16' ' ' PHE . 15.9 m -139.5 107.51 5.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.575 HD12 ' C ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -153.92 164.18 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.735 HG23 HG13 ' A' ' 94' ' ' ILE . 34.8 m -99.84 114.85 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.0 m -110.04 131.44 61.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 5.4 tttt -103.73 121.87 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.571 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -66.0 146.87 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.483 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -121.35 -51.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 8.9 mt-10 -139.65 158.7 43.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -145.61 109.82 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.674 ' C ' HG13 ' A' ' 64' ' ' VAL . 26.3 m-80 -138.92 147.2 42.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.0 pt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.674 HG13 ' C ' ' A' ' 39' ' ' ASN . 89.5 t -133.18 139.38 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.628 ' HB3' HD11 ' A' ' 76' ' ' LEU . 35.1 mt-10 -92.81 121.64 34.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -116.74 142.71 46.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 67' ' ' LEU . 14.5 tp -88.12 121.88 31.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.876 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -135.87 153.51 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.684 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 173.32 -165.64 37.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.592 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 1.9 t70 -137.42 -179.72 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.12 -27.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.0 p -70.66 -75.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.44 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.66 -172.45 24.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.428 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 15.7 p -135.98 171.96 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.602 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.0 163.23 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -85.5 100.81 12.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 78' ' ' THR . 2.2 t80 -105.17 149.08 26.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.606 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 16.3 m -108.12 132.91 53.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.699 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -120.56 136.1 54.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.4 mpp_? -76.41 170.65 15.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 84' ' ' VAL . 30.2 p30 -48.01 -23.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -87.32 -61.03 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.5 mt-30 -54.63 -44.79 73.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.4 p -37.8 -43.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.12 -54.09 50.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.868 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.6 mt -63.76 -43.64 95.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.876 ' CE ' HG21 ' A' ' 68' ' ' ILE . 55.0 mmm -76.5 54.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -84.0 151.0 59.75 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.97 132.7 15.76 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.515 1.798 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.59 24.75 52.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.63 170.71 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.587 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 85.0 m -124.12 130.71 53.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.854 HG12 ' HA ' ' A' ' 119' ' ' ALA . 17.5 m -141.29 159.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.735 HG13 HG23 ' A' ' 32' ' ' THR . 3.7 mt -115.16 154.01 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.819 HD22 HD21 ' A' ' 109' ' ' LEU . 2.3 mp -114.82 131.5 56.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -125.68 140.01 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 58.03 20.76 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 29' ' ' HIS . 85.9 p -68.26 141.85 55.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -118.91 153.88 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.1 mm -103.33 122.91 56.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.28 126.09 39.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -71.86 104.1 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.0 t80 -92.1 158.86 15.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.7 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.768 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.11 31.36 58.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.7 p -161.9 -174.82 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.497 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -149.08 173.22 13.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.0 mtm105 -155.39 163.68 39.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.819 HD21 HD22 ' A' ' 95' ' ' LEU . 25.1 tp -97.33 135.75 38.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.36 -179.27 26.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.475 HG13 ' C ' ' A' ' 115' ' ' GLY . 2.2 t -138.44 121.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.01 174.8 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.408 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -60.43 -23.32 64.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.408 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 40.9 m95 -95.27 22.04 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 108.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.475 ' C ' HG13 ' A' ' 111' ' ' VAL . . . -136.57 144.01 15.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -143.31 156.22 44.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.6 mt -77.53 156.72 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -98.84 -50.64 4.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.868 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 80.48 45.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.491 HG22 ' CA ' ' A' ' 93' ' ' VAL . 3.7 t -45.89 170.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -60.22 -100.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.48 163.61 22.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.587 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -91.05 123.82 34.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.0 m -92.8 0.97 57.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.058 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.9 p90 -117.64 163.86 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.1 m -106.4 112.49 25.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 34' ' ' LYS . 54.7 t -58.32 143.88 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -90.82 85.58 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.22 61.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -167.35 -42.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -82.46 49.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.431 ' C ' HD23 ' A' ' 133' ' ' LEU . 54.7 t-20 -73.27 145.53 46.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.762 HD11 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.62 14.06 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.52 0.2 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.867 HG13 HD13 ' A' ' 31' ' ' LEU . 9.2 p -102.8 -179.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.771 ' H ' HG22 ' A' ' 17' ' ' VAL . 5.7 mmtt -123.32 167.43 13.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.81 HG12 HD11 ' A' ' 133' ' ' LEU . 97.1 t -67.13 -55.11 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' OE2' HG22 ' A' ' 72' ' ' THR . 10.8 pt-20 -59.46 -14.4 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -11.02 58.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.9 mt -70.91 150.04 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -159.94 170.17 9.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HB3' ' SD ' ' A' ' 102' ' ' MET . 18.5 Cg_endo -74.96 137.49 21.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.433 1.754 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.63 36.71 9.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 27' ' ' THR . 76.5 p -130.04 155.26 46.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' THR . 7.4 p -152.86 165.4 35.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.08 92.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.4 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 95.0 m-70 -122.35 161.03 24.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -141.29 110.35 6.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.867 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -156.57 170.39 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.62 HG23 HG13 ' A' ' 94' ' ' ILE . 10.8 m -105.72 109.37 21.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.26 137.73 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.36 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -111.06 118.01 34.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.606 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.7 t -65.84 145.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.855 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -121.21 -49.44 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -134.39 166.45 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -156.8 105.92 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.696 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -125.33 141.66 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.625 ' HA ' HG22 ' A' ' 64' ' ' VAL . 22.5 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.5 mm . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.696 HG13 ' C ' ' A' ' 39' ' ' ASN . 81.2 t -134.54 138.0 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HG2' HD21 ' A' ' 76' ' ' LEU . 4.0 mt-10 -87.64 133.8 33.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -131.19 147.83 52.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 108.337 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD21 ' CB ' ' A' ' 74' ' ' CYS . 5.4 tt -94.82 114.08 25.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.937 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.79 152.56 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.488 ' CA ' HG21 ' A' ' 19' ' ' VAL . . . 170.19 -156.39 26.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.532 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 3.5 t70 -136.48 -179.25 5.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 72' ' ' THR . 5.9 pt-20 -48.53 -30.76 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.432 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 17.5 p -62.33 -72.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.19 -172.63 22.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.592 ' CB ' HD21 ' A' ' 67' ' ' LEU . 1.1 p -137.56 155.7 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.719 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -134.11 163.37 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.872 ' C ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -93.67 99.85 12.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.633 ' CE2' HD21 ' A' ' 95' ' ' LEU . 16.1 t80 -103.13 150.38 23.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.599 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 24.9 m -106.2 131.84 52.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.782 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -120.9 133.96 55.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -73.17 170.86 14.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -48.51 -23.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 8.6 m-20 -89.93 -58.98 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -54.23 -41.95 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.7 p -38.36 -47.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.462 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.9 OUTLIER -53.92 -53.96 45.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.904 HD22 ' HB2' ' A' ' 119' ' ' ALA . 2.8 mt -63.7 -38.21 90.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.937 ' CE ' HG21 ' A' ' 68' ' ' ILE . 65.1 mmm -86.03 42.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.453 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -77.38 157.47 80.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.56 15.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.43 24.53 53.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -129.94 148.82 51.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.556 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 36.8 m -109.82 129.82 55.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.868 HG12 ' HA ' ' A' ' 119' ' ' ALA . 34.4 m -140.4 153.23 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.62 HG13 HG23 ' A' ' 32' ' ' THR . 57.6 mt -105.49 153.76 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.863 HD22 HD21 ' A' ' 109' ' ' LEU . 1.9 mp -118.82 116.0 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.44 133.24 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 t30 63.32 27.38 15.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.613 ' HB2' HD11 ' A' ' 109' ' ' LEU . 46.9 p -73.92 127.45 32.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.967 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.52 160.28 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 109' ' ' LEU . 13.9 mm -108.67 124.79 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.13 125.97 40.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' A' ' 24' ' ' PRO . 7.6 tpt -73.16 105.14 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 105' ' ' GLY . 4.8 t80 -93.5 159.42 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.24 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.785 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.22 36.03 56.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.1 p -162.26 179.91 7.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.414 ' C ' ' HG3' ' A' ' 108' ' ' ARG . 1.3 ptt? -151.22 154.23 36.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.414 ' HG3' ' C ' ' A' ' 107' ' ' MET . 37.0 mtt85 -142.18 166.33 25.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.863 HD21 HD22 ' A' ' 95' ' ' LEU . 66.6 tp -95.65 136.87 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.47 173.37 30.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.538 HG13 ' HA3' ' A' ' 115' ' ' GLY . 62.8 t -133.92 129.22 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -81.45 176.22 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -23.78 66.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -90.69 13.21 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 108.027 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.538 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -132.04 144.66 16.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -142.14 158.22 43.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.8 mt -77.18 156.66 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 17.6 tt0 -96.81 -61.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.904 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 85.07 42.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.5 OUTLIER -35.62 -59.46 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.594 ' H ' HG23 ' A' ' 120' ' ' THR . . . 147.48 -76.09 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.46 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.49 164.9 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.556 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -111.82 162.61 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -117.53 7.28 12.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.532 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.2 p90 -122.92 159.21 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 64.6 m -102.13 113.53 26.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.855 HG21 HD11 ' A' ' 36' ' ' ILE . 55.2 t -54.14 142.17 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.42 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 8.7 ttpt -104.25 97.76 7.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.55 -1.83 23.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.74 -23.52 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.42 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 13.0 t-20 -121.17 82.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.412 ' C ' HD23 ' A' ' 133' ' ' LEU . 5.7 t-20 -96.6 133.08 41.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.81 HD11 HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -93.81 -3.7 51.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 76' ' ' LEU . 13.1 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.056 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.457 0.17 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -112.58 -171.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 5.6 mttm -134.24 170.31 15.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.772 HG12 HD11 ' A' ' 133' ' ' LEU . 82.3 t -66.45 -44.1 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.21 -8.26 37.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 1.03 54.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -82.86 153.55 25.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -166.47 170.63 5.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.06 16.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.78 41.87 5.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 70.8 p -136.71 151.24 49.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -146.92 171.38 15.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.09 93.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 92.6 m-70 -122.14 155.22 36.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 0.737 . . . . 0.0 109.583 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 3.2 m -134.52 112.13 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -160.68 161.52 32.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.723 HG23 HG21 ' A' ' 120' ' ' THR . 31.9 m -98.48 108.78 21.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -101.68 137.85 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -109.79 122.42 47.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.598 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -68.58 146.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -121.42 -50.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.4 mt-10 -133.77 160.48 37.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -154.71 106.24 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.712 ' C ' HG13 ' A' ' 64' ' ' VAL . 19.8 m-80 -138.98 151.08 46.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.712 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.1 t -138.65 138.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.729 ' HB3' HD11 ' A' ' 76' ' ' LEU . 81.9 mt-10 -89.11 134.94 33.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -133.52 144.58 49.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.559 HD21 ' SG ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -92.29 118.58 31.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.931 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.73 153.53 36.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.54 ' O ' HG22 ' A' ' 127' ' ' VAL . . . 165.47 -166.11 38.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.466 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 17.0 t0 -125.81 -179.61 4.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -46.07 -35.39 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.8 p -56.86 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.17 -173.15 18.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.093 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.559 ' SG ' HD21 ' A' ' 67' ' ' LEU . 1.6 p -138.13 171.86 13.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.652 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -152.38 162.82 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -89.9 101.64 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.666 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.7 t80 -104.86 139.1 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 36.7 m -94.75 130.73 41.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -118.42 134.86 54.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -73.66 172.37 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -52.66 -20.2 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -93.0 -55.02 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.96 -43.13 91.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLN . 4.1 p -38.24 -38.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.08 -56.43 16.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.842 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.8 mt -63.78 -24.8 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.931 ' CE ' HG21 ' A' ' 68' ' ' ILE . 55.9 mmm -96.01 38.3 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.69 155.72 88.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.446 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.04 132.28 15.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.09 21.43 59.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -123.87 152.37 42.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.574 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 62.1 m -110.56 127.79 55.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.883 HG12 ' HA ' ' A' ' 119' ' ' ALA . 29.1 m -140.98 156.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.682 HG13 HG23 ' A' ' 32' ' ' THR . 8.6 mt -111.3 157.34 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.666 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.8 mp -118.63 120.14 36.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 9.0 mtp180 -112.43 120.81 42.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.8 t30 74.94 20.21 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.8 p -66.1 122.12 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -102.88 143.02 33.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.6 mm -87.11 130.12 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.14 125.71 39.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.5 tpt -78.07 98.86 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 106' ' ' THR . 3.7 t80 -88.88 160.21 17.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.85 96.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.614 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.77 33.29 55.61 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -158.4 179.96 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.395 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.0 165.37 31.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -154.53 166.06 34.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.621 HD21 HD22 ' A' ' 95' ' ' LEU . 38.1 tp -96.69 137.28 36.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -155.94 -179.2 30.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 32.9 t -136.44 133.18 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.06 175.67 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -23.51 65.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -94.34 26.65 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.024 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.424 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -148.82 141.6 9.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.52 158.2 44.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.1 mt -77.79 156.7 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.5 tp10 -97.61 -54.21 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.343 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.883 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 84.01 39.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.723 HG21 HG23 ' A' ' 32' ' ' THR . 9.5 t -43.47 166.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.429 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -54.46 -106.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.12 171.27 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.574 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -98.04 127.37 43.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.38 8.61 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.466 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.2 p90 -129.4 167.0 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 94.3 m -113.81 114.99 27.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.657 HG21 HD11 ' A' ' 36' ' ' ILE . 75.4 t -55.04 145.6 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.482 ' HD2' ' CB ' ' A' ' 131' ' ' ASN . 8.9 ttmm -101.3 92.14 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.96 57.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -150.89 -46.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.482 ' CB ' ' HD2' ' A' ' 128' ' ' LYS . 15.2 t-20 -86.31 57.1 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.459 ' C ' HD23 ' A' ' 133' ' ' LEU . 52.7 t-20 -79.52 145.04 33.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.772 HD11 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -115.66 13.6 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.485 0.183 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.751 HG13 HD13 ' A' ' 31' ' ' LEU . 11.5 p -95.97 174.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.634 ' H ' HG22 ' A' ' 17' ' ' VAL . 3.7 mmtp -118.88 169.8 9.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.756 HG12 ' CD1' ' A' ' 133' ' ' LEU . 98.5 t -70.58 -45.55 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.49 -10.31 33.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -88.09 -11.88 45.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 100' ' ' ILE . 49.0 mt -66.66 154.11 41.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -167.31 165.44 8.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 135.21 18.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.47 8.41 57.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.428 ' C ' HG23 ' A' ' 27' ' ' THR . 58.9 p -104.34 159.47 15.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.78 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 26' ' ' THR . 20.3 p -154.42 171.59 19.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.49 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.64 92.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -120.39 158.35 27.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 109.615 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 50.9 m -137.88 105.47 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.751 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -152.08 169.09 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.856 HG23 HG13 ' A' ' 94' ' ' ILE . 20.5 m -105.79 109.04 20.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.0 m -101.99 135.8 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -108.1 119.72 40.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.529 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.6 t -64.24 143.5 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.569 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -119.48 -50.23 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -137.03 155.64 49.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.244 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -146.84 107.07 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.72 ' O ' HG13 ' A' ' 64' ' ' VAL . 14.0 m-80 -137.91 148.76 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.416 HG22 HG22 ' A' ' 64' ' ' VAL . 25.4 pt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.771 HG23 HG23 ' A' ' 78' ' ' THR . 4.2 mm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 39' ' ' ASN . 74.5 t -130.78 138.58 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -97.15 97.56 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.96 148.21 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 27.5 tp -95.37 120.41 35.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.866 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -135.57 153.0 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.415 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 167.95 -163.04 36.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.501 ' OD1' HG23 ' A' ' 19' ' ' VAL . 3.7 p-10 -137.49 -178.65 5.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 70' ' ' ASP . 4.2 pt-20 -38.07 -57.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.48 ' HG1' ' CG ' ' A' ' 70' ' ' ASP . 34.9 p -40.28 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.64 -172.33 19.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.406 ' CA ' HG11 ' A' ' 19' ' ' VAL . 2.5 p -139.72 167.29 22.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.762 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -148.57 163.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 76' ' ' LEU . 11.7 mt -86.39 122.06 29.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CE2' HD21 ' A' ' 95' ' ' LEU . 2.0 t80 -125.23 132.99 52.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.771 HG23 HG23 ' A' ' 63' ' ' ILE . 70.8 m -86.74 129.62 34.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.65 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -116.31 132.14 56.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.6 mtm180 -72.88 166.12 23.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.507 ' O ' HG12 ' A' ' 84' ' ' VAL . 1.9 p-10 -47.63 -22.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 80' ' ' ARG . 8.3 m-20 -88.87 -61.92 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 84' ' ' VAL . 30.7 mt-30 -53.86 -39.71 65.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 81' ' ' ASN . 3.0 p -39.15 -43.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -54.99 38.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.942 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.9 mt -63.98 -39.1 93.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.866 ' CE ' HG21 ' A' ' 68' ' ' ILE . 52.7 mmm -82.5 50.09 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -85.04 154.07 60.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.544 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 125.09 9.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.01 32.04 11.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.04 155.85 49.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.7 m -110.1 128.45 55.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 119' ' ' ALA . 27.3 m -139.55 152.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.856 HG13 HG23 ' A' ' 32' ' ' THR . 11.0 mt -108.39 155.34 9.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.583 HD22 ' CD2' ' A' ' 109' ' ' LEU . 1.8 mp -119.26 130.1 55.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.2 128.14 48.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.0 18.9 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 p -65.52 128.96 38.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 137.38 44.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.472 HD11 HD13 ' A' ' 22' ' ' LEU . 22.4 mm -85.89 126.36 40.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 107' ' ' MET . 2.9 m-20 -94.99 124.65 39.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.14 101.05 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 106' ' ' THR . 7.9 t80 -88.75 157.46 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -41.4 97.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.885 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.3 42.88 95.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -174.84 -177.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.425 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 1.2 ptt? -151.38 167.52 27.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.95 165.1 37.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' A' ' 75' ' ' ILE . 21.1 tp -97.21 135.57 38.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.0 164.73 30.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.48 HG13 ' HA3' ' A' ' 115' ' ' GLY . 2.3 t -126.13 121.32 59.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.4 176.13 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -22.6 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -94.95 27.33 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.017 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.48 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -145.98 138.28 7.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.91 152.89 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.794 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.0 mt -78.47 156.1 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.672 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.6 tt0 -98.45 -55.48 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.942 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 83.74 48.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.513 HG21 HG23 ' A' ' 32' ' ' THR . 1.9 t -50.62 173.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -62.31 -98.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.46 166.64 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.06 130.58 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.42 2.63 50.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' A' ' 70' ' ' ASP . 5.4 p90 -120.64 161.11 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 73.2 m -103.2 108.51 19.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.569 HG21 HD11 ' A' ' 36' ' ' ILE . 48.3 t -55.54 147.98 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 131' ' ' ASN . 7.0 ttpp -108.43 97.1 6.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.04 54.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -145.81 -46.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 128' ' ' LYS . 49.4 t30 -84.31 49.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -65.55 137.29 57.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.756 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.5 mt -97.22 -11.02 24.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.529 0.204 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.9 HG13 HD13 ' A' ' 31' ' ' LEU . 12.8 p -88.72 173.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.601 ' H ' HG22 ' A' ' 17' ' ' VAL . 7.5 mmtp -123.62 167.81 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.733 HG12 HD11 ' A' ' 133' ' ' LEU . 96.2 t -67.59 -46.51 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -10.18 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -6.31 54.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.4 mt -73.14 151.54 41.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -166.18 170.56 5.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.93 19.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 31.75 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 27' ' ' THR . 80.9 p -126.18 155.45 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 110.433 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 26' ' ' THR . 2.6 p -152.26 171.97 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.31 92.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -117.71 155.01 30.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.591 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.1 m -135.53 104.14 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.9 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -153.13 167.72 28.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.801 HG23 HG13 ' A' ' 94' ' ' ILE . 5.4 m -101.68 108.54 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.0 m -101.23 130.89 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -107.37 118.82 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.592 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.7 t -66.21 145.64 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.807 HD11 HG21 ' A' ' 127' ' ' VAL . 2.1 mm -120.5 -49.24 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 4.8 mt-10 -136.55 157.31 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.93 110.43 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.693 ' C ' HG13 ' A' ' 64' ' ' VAL . 20.7 m-80 -139.16 150.55 45.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.1 pt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.584 HD12 ' CG2' ' A' ' 78' ' ' THR . 2.2 mm . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.693 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.8 t -137.43 137.49 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.47 ' HG2' ' CD2' ' A' ' 76' ' ' LEU . 37.7 mt-10 -89.67 130.92 35.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.2 m -127.73 146.02 50.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.545 HD21 ' SG ' ' A' ' 74' ' ' CYS . 2.1 tt -90.69 116.5 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.857 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -133.53 154.17 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.501 ' CA ' HG21 ' A' ' 19' ' ' VAL . . . 169.98 -157.13 28.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -134.43 -179.25 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.245 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 15.8 pt-20 -50.74 -21.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.455 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 5.6 p -72.44 -77.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 131' ' ' ASN . . . -146.21 -172.46 16.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.545 ' SG ' HD21 ' A' ' 67' ' ' LEU . 28.0 p -135.72 169.67 17.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.925 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -155.89 163.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -87.3 119.25 27.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' A' ' 95' ' ' LEU . 7.2 t80 -126.12 121.81 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.584 ' CG2' HD12 ' A' ' 63' ' ' ILE . 75.6 m -77.01 133.79 39.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -119.7 131.07 55.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.452 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -71.97 163.65 27.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.538 ' O ' HG12 ' A' ' 84' ' ' VAL . 9.2 p-10 -44.87 -24.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -87.19 -62.6 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' MET . 26.9 mt-30 -53.45 -38.73 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.8 p -37.55 -42.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -55.22 29.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.042 HD22 ' HB2' ' A' ' 119' ' ' ALA . 6.5 mt -63.68 -22.27 66.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.857 ' CE ' HG21 ' A' ' 68' ' ' ILE . 53.7 mmm -100.04 33.57 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -71.15 158.03 88.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.68 15.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.549 1.815 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.52 21.56 61.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -122.99 143.29 50.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 0.72 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.617 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 36.0 m -104.33 129.58 52.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.663 HG11 ' O ' ' A' ' 86' ' ' LEU . 23.2 m -143.91 149.22 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.801 HG13 HG23 ' A' ' 32' ' ' THR . 40.2 mt -99.42 153.23 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.584 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 2.4 mp -116.24 117.32 29.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.448 ' NH1' ' OE2' ' A' ' 118' ' ' GLU . 16.3 mtp180 -108.54 139.48 43.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 55.97 23.91 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.0 p -68.42 122.22 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -103.54 142.36 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.8 mm -87.64 128.65 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.82 125.97 39.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.2 tpt -78.92 107.79 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 11.1 t80 -98.58 159.08 15.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.556 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -40.28 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.857 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.71 39.07 65.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.7 OUTLIER -165.91 178.21 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.753 . . . . 0.0 110.432 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.43 158.09 43.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -146.38 162.83 37.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.925 ' HB3' HD11 ' A' ' 75' ' ' ILE . 31.4 tp -96.5 137.64 35.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -155.79 170.86 33.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 t -130.94 118.53 42.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.66 175.26 8.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.587 ' HE3' ' CZ2' ' A' ' 114' ' ' TRP . 4.9 pttt -62.51 -15.92 52.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.587 ' CZ2' ' HE3' ' A' ' 113' ' ' LYS . 1.5 m95 -93.34 17.76 10.76 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.3 153.49 25.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 156.5 44.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.4 mt -77.39 156.39 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.725 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.3 tp10 -96.21 -63.64 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.042 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 88.27 42.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.639 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.6 OUTLIER -37.59 -61.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.639 ' H ' HG23 ' A' ' 120' ' ' THR . . . 111.71 108.21 2.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.43 ' N ' ' HB ' ' A' ' 92' ' ' THR . . . 61.52 143.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.617 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -109.42 156.66 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -106.79 18.87 21.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -142.12 166.46 24.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.5 m -109.86 115.33 29.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.807 HG21 HD11 ' A' ' 36' ' ' ILE . 48.9 t -54.54 131.02 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 8.0 ttpt -79.94 86.12 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 63.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -160.15 -44.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.467 ' O ' ' CA ' ' A' ' 73' ' ' GLY . 42.3 t30 -91.21 70.21 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.677 ' C ' HD23 ' A' ' 133' ' ' LEU . 40.5 t-20 -87.45 149.17 24.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.733 HD11 HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -116.92 6.91 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 96.4 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.19 158.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -140.19 -58.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.95 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.48 121.22 1.29 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 p -155.07 135.18 13.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.61 164.15 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.94 133.2 2.83 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 p -134.7 -56.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.685 HG23 ' HE3' ' A' ' 11' ' ' LYS . 24.6 m 59.33 105.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 10' ' ' VAL . 33.7 m -134.5 76.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.685 ' HE3' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -45.43 -62.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.64 86.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -171.1 155.72 4.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.6 t -70.91 -30.05 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -113.74 159.94 19.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.83 HG13 HD13 ' A' ' 31' ' ' LEU . 11.5 p -93.98 173.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.622 ' H ' HG22 ' A' ' 17' ' ' VAL . 7.3 mmtm -120.23 167.06 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.722 HG12 HD11 ' A' ' 133' ' ' LEU . 96.2 t -67.09 -49.06 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -8.8 35.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.98 -2.33 55.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 71.8 mt -74.84 161.59 29.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 9.0 mtmt -166.59 159.16 11.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.79 25.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.37 66.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -101.36 158.71 15.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.377 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' GLY . 4.9 p -149.13 178.93 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.64 90.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -120.89 158.01 28.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.6 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.575 HG23 ' HD3' ' A' ' 96' ' ' ARG . 4.0 m -138.29 108.57 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.83 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -154.69 172.04 18.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.714 HG23 HG13 ' A' ' 94' ' ' ILE . 7.3 m -107.75 108.63 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.82 134.45 42.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -107.71 121.88 45.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.555 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -69.97 144.11 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -120.1 -51.73 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 5.6 mt-10 -136.17 155.98 49.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.92 106.38 4.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.679 ' C ' HG13 ' A' ' 64' ' ' VAL . 6.4 m-80 -136.98 150.33 48.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.455 HG22 HG22 ' A' ' 64' ' ' VAL . 50.2 pt -53.49 155.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.421 HG22 ' CG ' ' A' ' 65' ' ' GLU . 99.6 t -79.09 101.09 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 m -72.89 157.26 88.96 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.8 t 64.64 -84.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.424 ' O ' ' CG2' ' A' ' 45' ' ' THR . 4.6 t -84.87 116.4 23.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.04 115.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.18 104.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 49' ' ' ARG . 12.1 t -160.05 137.76 9.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER 163.51 -53.3 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -75.01 -56.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 50.74 69.04 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m 57.34 90.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.959 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.79 90.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.52 112.7 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.31 -62.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.18 139.9 79.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 109.94 3.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.9 p -100.51 -178.44 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.953 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.52 151.02 61.28 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 90.38 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 p -92.73 69.9 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.65 103.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.577 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.9 mm -108.77 132.28 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.679 HG13 ' C ' ' A' ' 39' ' ' ASN . 72.7 t -142.28 137.33 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' CG ' HG22 ' A' ' 41' ' ' VAL . 13.3 mt-10 -85.16 129.57 34.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 4.5 m -125.56 143.6 50.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 20.2 tp -88.38 116.4 26.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.91 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -134.15 153.36 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 168.93 -162.63 36.41 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' OD1' ' CD1' ' A' ' 125' ' ' PHE . 11.5 t0 -133.85 -179.01 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 8.1 pt-20 -45.11 -40.71 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 13.7 p -54.25 -80.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.445 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -145.91 -173.44 17.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.9 p -135.14 165.06 26.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.906 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -150.62 164.12 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 134' ' ' SER . 3.6 mt -89.04 123.35 33.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.905 ' CE2' HD21 ' A' ' 95' ' ' LEU . 2.4 t80 -127.25 134.92 50.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.577 ' CG2' HD12 ' A' ' 63' ' ' ILE . 64.0 m -90.27 134.86 34.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.75 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -124.96 132.14 53.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.408 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.2 mmm180 -72.79 171.33 12.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -49.86 -22.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 80' ' ' ARG . 22.5 m-20 -90.9 -56.95 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -56.53 -42.37 78.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.5 p -38.7 -47.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -55.61 -51.7 66.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.94 HD22 ' HB2' ' A' ' 119' ' ' ALA . 18.4 mt -66.67 -31.4 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.91 ' CE ' HG21 ' A' ' 68' ' ' ILE . 55.1 mmm -92.48 38.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -74.06 156.41 87.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.63 13.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.15 24.67 51.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -125.85 149.53 48.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.737 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.75 HG21 ' CA ' ' A' ' 123' ' ' ALA . 96.4 m -107.74 125.3 51.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 119' ' ' ALA . 20.0 m -140.22 159.28 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.714 HG13 HG23 ' A' ' 32' ' ' THR . 21.2 mt -114.56 160.42 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.905 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.1 mp -121.91 115.46 22.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.575 ' HD3' HG23 ' A' ' 30' ' ' THR . 0.1 OUTLIER -106.05 128.14 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 65.63 26.68 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 p -69.36 141.4 54.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -114.12 156.66 23.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 mm -109.38 126.31 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 107' ' ' MET . 4.5 m-20 -95.01 125.77 39.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.72 95.99 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.504 ' HD2' ' HG1' ' A' ' 106' ' ' THR . 9.9 t80 -83.05 158.57 22.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.491 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -41.99 97.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.806 ' O ' HG23 ' A' ' 106' ' ' THR . . . 57.58 33.43 66.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.3 p -162.85 -174.75 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 1.3 ptt? -153.37 169.08 23.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.36 164.38 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.906 ' HB3' HD11 ' A' ' 75' ' ' ILE . 43.7 tp -96.41 135.98 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.14 171.61 32.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 18.6 t -126.22 129.9 72.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.96 176.09 10.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.444 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -65.22 -23.07 66.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.444 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 42.4 m95 -94.88 26.97 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.44 143.81 12.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.74 156.4 48.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.2 mt -77.63 156.69 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.241 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.724 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 4.6 tp10 -100.32 -57.81 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.94 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 87.2 44.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.623 ' CG2' HG22 ' A' ' 92' ' ' THR . 1.6 t -43.37 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.29 -84.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.473 ' C ' HG21 ' A' ' 92' ' ' THR . . . -131.07 155.26 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.797 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.75 ' CA ' HG21 ' A' ' 92' ' ' THR . . . -67.98 -65.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 2.9 t 87.11 3.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.509 ' CZ ' ' HB1' ' A' ' 123' ' ' ALA . 7.2 p90 -131.2 148.98 52.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 90.1 m -87.46 115.86 25.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.463 HG21 HD11 ' A' ' 36' ' ' ILE . 20.1 t -67.09 146.14 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.2 ttpt -97.01 79.43 2.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -69.34 59.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' LYS . 13.7 m-20 -153.95 -45.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -82.55 51.99 1.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.595 ' HB3' HD12 ' A' ' 135' ' ' LEU . 5.0 t-20 -62.41 142.38 57.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.722 HD11 HG12 ' A' ' 19' ' ' VAL . 8.4 mt -103.27 -19.28 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.479 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -81.49 1.13 34.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.595 HD12 ' HB3' ' A' ' 132' ' ' ASN . 20.3 mt -108.04 -58.96 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 106' ' ' THR . 9.4 p -48.46 149.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.453 ' HG2' HG23 ' A' ' 106' ' ' THR . 68.4 mt-10 -116.38 134.26 55.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -97.84 137.42 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 59.41 115.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 57.8 m -56.7 114.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -147.71 -163.6 10.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 11.1 t -136.25 -54.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 7.9 t -159.17 83.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.84 168.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.98 163.91 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.31 166.98 39.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -164.41 169.96 16.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.03 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.97 145.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.89 -131.94 6.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.4 t -171.08 87.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.54 ' C ' HG12 ' A' ' 10' ' ' VAL . 1.8 m -151.02 117.95 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.54 HG12 ' C ' ' A' ' 9' ' ' THR . 0.3 OUTLIER 177.41 127.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 134.03 51.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.5 mmt-85 -92.17 160.01 15.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.57 155.84 49.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -172.21 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.431 1.753 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.26 -33.05 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -112.93 157.97 20.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.833 HG13 HD13 ' A' ' 31' ' ' LEU . 8.0 p -93.19 177.71 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.729 ' H ' HG22 ' A' ' 17' ' ' VAL . 7.4 mmtt -123.85 172.54 8.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 133' ' ' LEU . 86.2 t -73.49 -43.68 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -6.18 29.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -94.86 -9.26 34.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.7 mt -68.89 158.58 34.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -166.5 163.09 11.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.1 13.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.18 -1.61 47.25 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.566 1.166 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.9 p -94.79 158.26 15.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 28' ' ' GLY . 5.3 p -150.75 172.62 15.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 37.48 93.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -121.24 159.26 26.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.7 m -140.37 111.57 7.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.426 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.833 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -156.54 169.79 23.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.675 HG23 HG21 ' A' ' 120' ' ' THR . 27.1 m -101.87 106.86 17.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -101.54 134.09 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -107.48 122.52 46.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.519 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.3 t -70.15 146.26 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.894 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.92 -51.36 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.5 mt-10 -134.83 160.53 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.01 113.38 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.675 ' C ' HG13 ' A' ' 64' ' ' VAL . 7.6 m120 -138.06 145.8 42.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.0 pt -51.72 157.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG12 ' CD ' ' A' ' 65' ' ' GLU . 11.3 m -78.36 87.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.512 HG23 HG21 ' A' ' 45' ' ' THR . 31.0 m -61.97 157.38 51.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.84 42.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 t 69.58 48.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.512 HG21 HG23 ' A' ' 42' ' ' VAL . 9.2 p -134.62 -171.23 2.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.66 102.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.14 142.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -108.46 -66.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.3 mtt-85 -104.63 135.63 19.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.49 173.66 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.09 80.02 6.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.28 81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -174.73 105.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.34 -63.32 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.4 68.56 1.75 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.61 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -173.06 -55.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.36 153.37 34.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.48 8.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.46 76.66 9.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.68 104.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.531 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.8 mm -101.25 130.93 49.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.675 HG13 ' C ' ' A' ' 39' ' ' ASN . 92.1 t -131.61 140.47 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.649 ' HB3' HD11 ' A' ' 76' ' ' LEU . 37.2 mt-10 -92.26 123.6 35.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.2 m -122.31 149.85 43.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.262 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 tt -96.9 117.44 31.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.953 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.14 153.39 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.447 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 170.77 -160.92 33.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.543 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 2.2 t70 -135.87 -179.88 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 72' ' ' THR . 2.9 pt-20 -47.5 -27.11 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.51 ' O ' ' CE ' ' A' ' 128' ' ' LYS . 38.9 p -67.37 -75.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.04 -172.74 21.0 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.424 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 2.7 p -137.32 168.12 20.25 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.547 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.3 162.75 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.649 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -89.93 100.98 13.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CE2' HD21 ' A' ' 95' ' ' LEU . 14.2 t80 -106.12 139.22 40.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.531 ' CG2' HD12 ' A' ' 63' ' ' ILE . 21.1 m -95.73 131.25 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.678 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -117.84 135.03 54.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -72.75 170.56 14.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -51.33 -21.45 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.51 -55.41 3.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' VAL . 1.3 mt-30 -57.39 -41.75 80.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.3 p -38.44 -46.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.436 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 1.5 m-20 -55.74 -54.9 38.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.84 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.6 mt -63.84 -34.36 77.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.953 ' CE ' HG21 ' A' ' 68' ' ' ILE . 56.3 mmm -88.58 41.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.64 154.62 85.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.3 15.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.91 23.54 57.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.74 156.68 39.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.84 HG23 ' HB2' ' A' ' 123' ' ' ALA . 14.8 m -112.41 129.0 56.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 119' ' ' ALA . 26.8 m -144.88 159.81 14.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.553 HD12 ' HB ' ' A' ' 120' ' ' THR . 20.5 mt -111.9 157.6 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 109' ' ' LEU . 2.3 mp -118.15 114.84 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -105.65 135.12 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 t30 57.9 37.82 26.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.499 ' HB2' HD11 ' A' ' 109' ' ' LEU . 97.5 p -82.63 130.29 35.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -104.34 160.43 14.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.4 mm -111.92 125.68 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 107' ' ' MET . 1.6 p30 -95.58 130.15 42.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.49 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -80.23 100.96 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.522 ' HD2' ' HG1' ' A' ' 106' ' ' THR . 9.3 t80 -89.85 158.59 17.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -42.39 96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.803 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.19 33.2 69.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.803 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.3 p -162.88 -174.51 3.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.525 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.2 ptt? -155.76 164.2 38.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -146.87 161.59 40.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 95' ' ' LEU . 56.7 tp -97.39 142.84 28.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -157.94 177.78 34.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.87 134.44 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.09 176.49 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.6 ' HE3' ' CZ2' ' A' ' 114' ' ' TRP . 3.2 pttt -61.76 -24.46 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.6 ' CZ2' ' HE3' ' A' ' 113' ' ' LYS . 1.2 m95 -86.67 7.71 25.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.87 152.58 20.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -148.64 159.47 44.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.98 156.48 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.6 OUTLIER -101.69 -53.04 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.84 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 81.18 56.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.675 HG21 HG23 ' A' ' 32' ' ' THR . 1.7 t -61.06 171.23 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -57.3 -113.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.79 160.48 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.84 ' HB2' HG23 ' A' ' 92' ' ' THR . . . -90.78 138.94 31.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.85 16.45 25.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.543 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 6.4 p90 -132.26 161.31 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.5 m -106.56 117.9 35.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.894 HG21 HD11 ' A' ' 36' ' ' ILE . 54.4 t -55.04 141.5 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 72' ' ' THR . 2.5 tmmm? -109.85 94.04 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.6 -7.99 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -18.21 63.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.486 ' HB2' ' CD ' ' A' ' 128' ' ' LYS . 32.9 t30 -124.66 72.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.6 ' C ' HD23 ' A' ' 133' ' ' LEU . 4.7 t-20 -85.36 135.23 33.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.724 HD23 ' N ' ' A' ' 133' ' ' LEU . 1.7 mt -94.58 -21.68 18.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -3.11 39.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 132' ' ' ASN . 18.8 mt -109.38 -51.62 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.664 HG12 ' HA ' ' A' ' 133' ' ' LEU . 13.7 p -50.69 152.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.464 ' HG2' HG23 ' A' ' 106' ' ' THR . 37.0 mt-10 -121.81 132.12 54.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.525 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 21.4 m-30 -97.48 130.32 44.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.54 84.74 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.4 t -82.79 165.59 19.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -157.28 167.18 33.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.4 12.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.67 98.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.1 t -72.26 156.21 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t 179.1 -58.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -75.68 164.21 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.84 71.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.4 140.45 49.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.36 168.69 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.79 93.81 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.93 109.21 5.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 m -153.01 125.76 8.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 p -177.73 120.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.18 151.03 23.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.34 -23.28 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -150.77 149.94 26.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -165.02 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t -76.49 -31.72 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -113.77 155.02 26.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.869 HG13 HD13 ' A' ' 31' ' ' LEU . 10.8 p -91.12 175.16 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.653 ' H ' HG22 ' A' ' 17' ' ' VAL . 14.2 mmtt -121.4 169.57 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.652 HG12 ' CD1' ' A' ' 133' ' ' LEU . 95.0 t -71.54 -41.91 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.42 -4.76 28.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.78 3.27 47.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.548 HD13 HD11 ' A' ' 100' ' ' ILE . 83.5 mt -77.02 151.57 35.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 10.7 mttp -162.85 161.6 18.98 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.68 25.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.91 14.31 55.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -114.19 158.37 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' GLY . 3.0 p -151.08 175.97 11.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.09 91.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -117.96 158.54 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m -137.25 109.72 7.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.869 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -157.22 168.6 26.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.84 HG23 HG13 ' A' ' 94' ' ' ILE . 5.0 m -105.22 109.76 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.373 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -101.32 134.22 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -107.1 118.96 38.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.6 t -65.32 144.16 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 127' ' ' VAL . 2.1 mm -118.51 -49.93 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 4.5 mt-10 -140.95 156.32 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.26 112.65 6.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.664 ' C ' HG13 ' A' ' 64' ' ' VAL . 10.0 m-80 -138.08 147.97 44.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.7 pt -52.62 157.83 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.666 HG22 ' CD ' ' A' ' 65' ' ' GLU . 5.3 t -78.92 89.27 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -64.24 157.6 69.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.76 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t 69.47 -62.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 46.8 p -79.91 -159.76 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -47.29 137.85 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.25 145.76 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 t -47.16 132.02 12.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.508 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -53.2 -50.88 79.96 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.4 Cg_endo -74.98 86.6 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.91 106.3 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.8 t -176.16 77.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.8 101.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.32 167.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.64 -67.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.86 147.64 41.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 70.02 5.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -176.96 -69.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -141.58 152.9 64.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.84 37.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.09 86.75 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -45.92 108.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm -106.82 129.19 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.664 HG13 ' C ' ' A' ' 39' ' ' ASN . 77.7 t -136.91 138.49 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.666 ' CD ' HG22 ' A' ' 41' ' ' VAL . 58.7 mt-10 -94.45 113.27 25.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 8.8 m -108.67 149.8 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 108.315 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 25.2 tp -94.72 119.41 33.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.903 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.72 153.53 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.566 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 175.09 -169.68 42.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 12.8 t0 -132.26 -179.27 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 0.718 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -44.8 -26.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.421 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 9.0 p -73.09 -78.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.413 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.55 -172.5 19.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.15 . . . . 0.0 111.047 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 4.7 p -136.06 168.12 19.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.574 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -148.6 163.67 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.31 110.7 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.756 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.3 t80 -114.12 142.58 46.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 82.8 m -99.32 124.61 44.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -111.68 131.8 55.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.9 mmm180 -72.11 165.55 24.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 84' ' ' VAL . 28.3 p-10 -47.17 -22.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -89.62 -61.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' LEU . 18.2 mt-30 -54.38 -37.81 65.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 81' ' ' ASN . 4.0 p -38.19 -45.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.21 -52.04 66.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.92 HD22 ' HB2' ' A' ' 119' ' ' ALA . 12.7 mt -63.72 -28.56 69.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.903 ' CE ' HG21 ' A' ' 68' ' ' ILE . 59.4 mmm -95.88 39.92 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.425 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -73.05 156.98 89.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.28 15.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.33 20.45 60.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -124.26 153.77 41.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.584 ' OG1' ' HB2' ' A' ' 123' ' ' ALA . 42.9 m -114.39 131.03 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.411 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 119' ' ' ALA . 17.9 m -141.87 161.85 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.84 HG13 HG23 ' A' ' 32' ' ' THR . 39.4 mt -111.65 160.05 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.756 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.3 mp -124.56 119.1 28.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.45 ' NH1' ' OE1' ' A' ' 118' ' ' GLU . 18.1 mtp180 -112.4 122.97 49.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.5 t30 76.31 19.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.429 ' CB ' HD23 ' A' ' 95' ' ' LEU . 24.8 p -67.13 130.74 44.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 110' ' ' GLY . 10.0 ptm180 -104.28 155.55 18.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.548 HD11 HD13 ' A' ' 22' ' ' LEU . 13.9 mm -105.21 126.38 60.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 107' ' ' MET . 0.9 OUTLIER -95.11 125.56 39.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.403 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.68 101.96 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' THR . 8.0 t80 -91.98 157.41 16.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -41.35 97.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.885 ' O ' HG23 ' A' ' 106' ' ' THR . . . 57.61 42.9 94.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -175.47 -177.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 110.387 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -146.92 174.61 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.489 ' O ' HD13 ' A' ' 100' ' ' ILE . 32.2 mtm180 -155.89 166.35 33.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.675 ' CD2' HD22 ' A' ' 95' ' ' LEU . 16.4 tp -96.1 136.62 36.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' ARG . . . -152.43 157.51 27.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.5 130.03 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.08 175.87 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -20.31 66.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -95.97 21.84 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -135.4 149.6 20.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -147.19 155.35 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.434 ' HB ' HD13 ' A' ' 86' ' ' LEU . 14.1 mt -77.21 156.02 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.687 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 6.5 tp10 -101.69 -53.55 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.92 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 83.45 51.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.506 ' CG2' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -37.63 -51.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 137.8 -74.01 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.421 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.94 163.73 29.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.584 ' HB2' ' OG1' ' A' ' 92' ' ' THR . . . -105.42 154.45 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.4 p -116.7 3.27 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.551 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 8.6 p90 -118.8 159.34 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.2 m -102.82 110.14 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 36' ' ' ILE . 53.5 t -55.07 143.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.477 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 1.2 ttmm -106.14 88.55 2.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -16.14 11.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -26.36 61.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.477 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 6.3 t-20 -105.24 60.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.476 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 12.7 t-20 -85.77 124.83 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.652 ' CD1' HG12 ' A' ' 19' ' ' VAL . 1.9 mt -86.6 -12.65 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 p -78.0 1.63 20.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 132' ' ' ASN . 6.6 mt -117.56 -52.14 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.535 ' O ' ' CG2' ' A' ' 106' ' ' THR . 9.8 p -44.73 167.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.405 ' H ' HG22 ' A' ' 136' ' ' VAL . 57.2 mt-10 -136.11 128.88 30.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.375 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.419 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 10.1 m-30 -89.93 134.21 34.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 63.41 66.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 87.2 p -104.87 143.67 32.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -168.52 -150.2 6.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.61 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.52 1.8 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.7 t 58.27 87.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.5 p -93.02 95.85 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -153.66 123.48 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -175.69 153.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.68 -176.58 29.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.2 120.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -165.39 136.14 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.956 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.82 171.51 23.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.442 1.088 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.57 174.54 7.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 t -133.36 126.83 32.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 10' ' ' VAL . 14.9 p -153.65 59.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.17 -47.35 5.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.08 122.2 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.84 162.01 0.14 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -175.36 2.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.67 -30.61 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -109.46 162.98 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.813 HG13 HD13 ' A' ' 31' ' ' LEU . 12.0 p -94.93 173.97 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.619 ' H ' HG22 ' A' ' 17' ' ' VAL . 13.2 mmtt -120.23 171.25 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 133' ' ' LEU . 82.1 t -71.97 -45.04 65.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -8.08 29.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -93.66 -9.21 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 77.9 mt -68.16 153.42 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 4.7 mtpt -160.06 160.09 26.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.72 11.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.79 -2.86 38.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.8 p -95.72 152.17 18.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -143.98 174.75 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.3 91.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -119.48 162.2 19.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m -140.9 106.43 5.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.813 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -153.57 169.52 23.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.56 HG23 HG21 ' A' ' 120' ' ' THR . 90.3 m -105.32 109.16 21.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -101.76 136.81 32.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.1 tttm -109.58 122.49 47.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.52 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -69.94 144.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.895 HD11 HG21 ' A' ' 127' ' ' VAL . 2.4 mm -121.0 -50.12 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.3 mt-10 -134.29 158.49 43.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -152.7 107.94 3.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.721 ' C ' HG13 ' A' ' 64' ' ' VAL . 5.0 m-80 -138.53 152.66 48.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 pt -53.28 156.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.664 HG22 ' CD ' ' A' ' 65' ' ' GLU . 20.3 t -78.67 111.86 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 m -69.88 156.73 91.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 135.78 19.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.8 t 55.77 98.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 46' ' ' ARG . 3.8 t -170.63 -48.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.432 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.451 ' N ' ' CG2' ' A' ' 45' ' ' THR . 42.8 mtt85 -148.15 -66.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -57.31 105.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 p -129.71 121.43 26.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.446 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.72 136.93 14.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.349 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.23 3.33 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.462 1.769 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 53.84 174.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.69 163.77 13.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.0 m -118.8 -56.3 2.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.47 151.92 27.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -172.56 -58.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -58.65 164.76 3.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.11 164.46 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -39.88 154.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 58.13 4.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 m 47.97 94.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -47.14 115.36 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 mm -123.7 128.86 74.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.721 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.7 t -128.18 138.36 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.664 ' CD ' HG22 ' A' ' 41' ' ' VAL . 28.7 mt-10 -89.67 128.09 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.3 m -126.19 152.15 46.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.3 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.423 HD22 HG13 ' A' ' 36' ' ' ILE . 6.7 tt -100.9 116.52 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.965 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.14 153.57 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.2 -163.42 36.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 15.3 t0 -132.5 -179.38 5.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -45.51 -35.36 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.423 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 16.0 p -60.2 -79.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.365 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 131' ' ' ASN . . . -147.53 -172.54 17.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.1 p -136.71 168.94 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.821 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -148.17 163.28 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.434 ' CD1' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -90.27 102.07 14.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.705 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.9 t80 -105.1 141.35 36.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 77.2 m -97.33 129.66 44.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.702 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -119.5 132.32 55.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -72.66 170.1 15.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.433 ' O ' HG12 ' A' ' 84' ' ' VAL . 19.6 t-20 -49.47 -22.75 1.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -89.59 -58.21 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -55.63 -43.05 75.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.6 p -37.91 -44.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.408 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 17.2 t0 -55.74 -55.67 29.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.827 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 1.8 mt -63.84 -32.54 74.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.965 ' CE ' HG21 ' A' ' 68' ' ' ILE . 60.0 mmm -89.42 41.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -77.09 156.13 82.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.78 15.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.7 24.45 55.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.12 153.84 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.666 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 38.0 m -111.31 127.74 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.831 HG12 ' HA ' ' A' ' 119' ' ' ALA . 34.3 m -139.94 152.54 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.508 HD12 ' HB ' ' A' ' 120' ' ' THR . 12.8 mt -110.34 151.38 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.853 HD22 HD21 ' A' ' 109' ' ' LEU . 2.0 mp -114.44 116.1 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 13.9 mtp180 -108.63 117.63 34.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.8 t30 78.31 25.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.591 ' CB ' HD23 ' A' ' 95' ' ' LEU . 7.8 p -71.73 131.89 43.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.88 165.04 11.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 109' ' ' LEU . 14.6 mm -118.44 124.87 73.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.32 126.63 40.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -75.87 98.74 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 106' ' ' THR . 7.7 t80 -85.98 158.26 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -42.28 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.766 ' O ' HG23 ' A' ' 106' ' ' THR . . . 57.98 31.9 65.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.4 p -161.87 -174.1 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.433 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.566 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.3 ptt? -156.3 164.09 38.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -146.37 164.56 32.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.853 HD21 HD22 ' A' ' 95' ' ' LEU . 48.9 tp -97.14 135.27 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -147.93 174.24 27.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.3 t -131.13 132.51 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.57 174.47 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -25.5 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -91.44 15.65 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -132.41 139.57 11.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -134.46 156.71 48.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.72 156.05 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.666 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -97.41 -54.99 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.831 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 83.71 36.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.56 HG21 HG23 ' A' ' 32' ' ' THR . 6.1 t -40.18 160.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -50.66 -101.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.44 165.63 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.666 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -93.26 147.74 22.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.32 20.71 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.554 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.5 p90 -139.07 162.45 34.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.8 m -108.22 117.48 34.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.895 HG21 HD11 ' A' ' 36' ' ' ILE . 78.6 t -55.66 141.98 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 131' ' ' ASN . 10.1 ttpp -107.61 85.51 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.58 -17.9 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.01 -37.83 88.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.454 ' O ' ' CA ' ' A' ' 73' ' ' GLY . 49.5 t30 -102.74 83.37 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.603 ' C ' HD23 ' A' ' 133' ' ' LEU . 8.5 t-20 -101.33 132.93 46.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.756 HD11 HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -96.35 -6.29 38.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.4 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.86 -6.64 53.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.6 mt -104.33 -53.97 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 133' ' ' LEU . 4.8 p -52.8 146.44 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 24.1 mt-10 -110.81 132.44 54.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 17.6 m-30 -94.9 121.2 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.46 120.03 5.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.5 t -126.57 157.27 39.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 177.31 -171.14 43.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.15 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.4 m -128.05 -73.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.5 t -164.69 154.22 13.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 111.041 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -176.52 169.58 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.981 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -152.27 168.41 25.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.08 135.93 1.91 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.71 133.01 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.61 165.36 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.82 -173.92 43.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.5 p -140.14 169.3 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.3 t -152.42 144.72 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.7 p 177.81 115.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -98.57 166.1 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -135.49 133.74 38.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -95.41 153.9 39.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.0 40.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 16' ' ' PHE . 71.7 t -114.01 -84.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 15' ' ' VAL . 15.5 m-85 56.29 157.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.835 HG13 HD13 ' A' ' 31' ' ' LEU . 7.8 p -96.6 176.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.71 ' H ' HG22 ' A' ' 17' ' ' VAL . 2.2 mmtp -123.41 166.31 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.636 HG12 ' CD1' ' A' ' 133' ' ' LEU . 88.0 t -67.88 -50.22 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.555 ' OE2' HG22 ' A' ' 72' ' ' THR . 11.7 pt-20 -64.94 -11.8 42.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.36 -1.87 57.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.7 mt -73.81 161.18 30.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -167.96 162.42 9.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 139.6 24.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.81 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.95 25.7 26.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.6 p -122.37 153.17 39.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.431 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -145.45 166.88 24.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 45.12 95.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -122.15 158.24 29.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.616 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 m -138.25 107.41 6.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.835 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -155.22 165.92 35.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.652 HG23 HG13 ' A' ' 94' ' ' ILE . 3.9 m -98.93 107.8 20.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.419 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 m -101.81 131.79 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.2 tttt -107.21 121.95 45.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.5 t -68.01 143.94 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.656 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -118.88 -50.03 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 5.7 mt-10 -139.67 158.95 43.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.09 113.72 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.684 ' C ' HG13 ' A' ' 64' ' ' VAL . 7.7 m120 -137.75 148.76 45.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.491 ' HA ' HG22 ' A' ' 64' ' ' VAL . 45.8 pt -53.8 157.52 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.527 HG22 ' CD ' ' A' ' 65' ' ' GLU . 40.6 t -79.31 114.03 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.6 m -72.02 155.47 91.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.8 11.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t 66.15 93.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.16 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.82 -70.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 114.66 22.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 p -134.97 74.31 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.79 154.71 49.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 112.15 3.49 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.34 54.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.1 t -161.84 94.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.98 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.81 83.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -155.6 44.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.91 135.81 0.47 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -56.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.564 1.823 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.9 p -144.2 136.55 26.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 61.08 150.52 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.56 32.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.48 81.67 5.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.43 95.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.447 HD12 ' CG2' ' A' ' 78' ' ' THR . 3.2 mm -89.0 133.77 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.684 HG13 ' C ' ' A' ' 39' ' ' ASN . 88.6 t -139.63 138.74 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.527 ' CD ' HG22 ' A' ' 41' ' ' VAL . 55.5 mt-10 -95.28 123.08 38.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.3 m -116.63 143.65 45.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 108.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.6 tp -88.05 117.88 27.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.894 HG21 ' HE1' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.38 153.25 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.471 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 172.28 -165.07 37.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -131.72 -179.53 5.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 0.794 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -49.53 -22.95 1.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.555 HG22 ' OE2' ' A' ' 20' ' ' GLU . 17.6 p -73.43 -78.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.45 -172.53 15.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.405 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 19.4 p -139.95 165.53 27.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.893 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -151.54 163.81 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -86.61 117.25 25.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CE2' HD21 ' A' ' 95' ' ' LEU . 4.4 t80 -122.95 127.73 49.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.571 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 98.3 m -79.17 143.33 35.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.591 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -131.28 130.23 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -72.55 165.79 23.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 84' ' ' VAL . 40.8 p-10 -46.75 -23.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -88.31 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 24.2 mt-30 -54.03 -39.53 66.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 81' ' ' ASN . 3.3 p -38.54 -42.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.46 -53.41 56.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.033 HD22 ' HB2' ' A' ' 119' ' ' ALA . 15.8 mt -64.14 -24.36 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.894 ' HE1' HG21 ' A' ' 68' ' ' ILE . 53.8 mmm -98.48 40.45 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.438 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -75.23 154.98 86.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.07 12.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.23 23.9 46.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -126.75 156.36 41.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.724 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 88.4 m -113.52 131.71 55.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 86' ' ' LEU . 32.7 m -146.15 152.38 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.652 HG13 HG23 ' A' ' 32' ' ' THR . 34.1 mt -104.52 155.24 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.59 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 1.7 mp -115.63 118.88 34.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -109.19 129.6 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 t30 63.72 29.08 14.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.8 p -74.86 127.47 33.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -102.4 157.87 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.7 mm -107.3 125.69 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 107' ' ' MET . 2.0 m-20 -95.14 124.76 39.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.447 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.16 106.07 10.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 9.5 t80 -95.44 157.53 15.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.487 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -41.34 97.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.886 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.23 42.66 95.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -175.02 -176.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 110.413 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.591 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.1 ptt? -154.74 163.97 39.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -146.06 163.35 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.893 ' HB3' HD11 ' A' ' 75' ' ' ILE . 28.0 tp -97.56 136.1 38.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -154.35 155.89 26.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.46 127.6 70.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.85 176.26 9.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -20.26 66.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -94.77 24.85 4.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 107.976 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.66 146.2 16.38 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.07 158.84 43.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 0.788 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.468 ' HB ' HD13 ' A' ' 86' ' ' LEU . 4.9 mt -77.49 156.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.716 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 3.8 tp10 -97.53 -60.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.033 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 86.73 45.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.2 OUTLIER -35.83 -56.48 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.509 ' H ' HG23 ' A' ' 120' ' ' THR . . . 144.42 -80.53 0.23 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.411 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -133.16 155.31 49.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.724 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -100.17 149.41 23.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 10.11 23.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -123.59 155.65 37.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.4 m -98.47 110.77 23.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.656 HG21 HD11 ' A' ' 36' ' ' ILE . 48.0 t -54.7 140.16 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -90.44 88.13 7.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.33 63.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.12 -44.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -83.81 52.98 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.538 ' HB3' HD12 ' A' ' 135' ' ' LEU . 11.7 t-20 -69.68 134.94 49.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.636 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.9 mt -96.4 -17.14 20.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.457 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -79.3 -1.88 38.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 132' ' ' ASN . 10.3 mt -111.08 -61.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 133' ' ' LEU . 8.5 p -47.24 148.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -113.94 141.19 47.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.591 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 18.1 m-30 -100.16 135.89 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.37 164.49 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 58.5 m 61.94 121.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 171.81 -123.73 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 151.21 39.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.7 p -108.33 121.2 44.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.0 p -161.81 152.18 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.82 148.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.99 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.49 160.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.5 149.89 6.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.99 162.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 t -173.12 172.23 3.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.48 133.72 5.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.2 142.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 0.802 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -146.76 84.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 10' ' ' VAL . 93.7 t -134.28 25.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm 66.95 -172.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.29 21.41 10.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.17 156.94 78.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -165.61 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.34 -28.69 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -104.29 164.74 11.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.809 HG13 HD13 ' A' ' 31' ' ' LEU . 7.4 p -97.75 178.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.743 ' H ' HG22 ' A' ' 17' ' ' VAL . 14.3 mmtt -128.39 164.9 21.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.771 ' O ' HD11 ' A' ' 133' ' ' LEU . 94.0 t -64.84 -41.5 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 9.8 pt-20 -69.38 -4.3 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.472 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.67 -2.48 35.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.67 146.09 40.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -158.43 168.54 12.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.78 14.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.67 51.72 2.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.1 p -149.72 153.3 36.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' GLY . 12.5 p -146.38 174.33 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 38.84 94.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -121.39 159.42 26.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -138.36 109.28 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.809 HD13 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -155.99 169.64 23.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.707 HG23 ' CG1' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -104.31 111.17 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.416 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.1 m -104.16 134.25 45.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -110.99 121.43 45.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.522 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.3 t -70.58 147.41 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.827 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.12 -50.21 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -137.63 168.36 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -148.0 109.37 4.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.616 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -121.61 137.31 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 64' ' ' VAL . 51.2 pt -60.11 155.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.426 HG11 HG22 ' A' ' 63' ' ' ILE . 3.2 m -94.08 146.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.56 158.91 30.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.14 17.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -78.0 -84.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.05 158.27 21.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.426 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.2 ttp85 -53.71 111.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.78 116.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -125.77 119.03 26.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' CB ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -51.05 -53.54 47.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 49' ' ' ARG . 18.4 Cg_endo -75.0 -164.23 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -148.42 123.25 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 m -156.66 101.85 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.64 89.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mp -111.91 169.36 8.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.51 158.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.77 90.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 101.83 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.63 -56.29 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.938 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -41.53 148.94 0.41 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 172.64 15.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.21 99.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.32 121.91 9.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 80' ' ' ARG . 2.4 mm -129.63 125.46 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.616 HG13 ' C ' ' A' ' 39' ' ' ASN . 81.0 t -127.9 138.85 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HB3' HD11 ' A' ' 76' ' ' LEU . 29.2 mt-10 -86.52 134.88 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 9.6 m -131.83 144.71 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 108.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 1.2 tt -91.92 115.7 28.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.937 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.92 153.99 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.533 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 173.44 -172.82 45.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' THR . 3.3 t0 -130.02 -177.39 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 72' ' ' THR . 0.9 OUTLIER -69.12 56.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.257 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' GLU . 23.9 p -158.44 -54.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.405 ' C ' ' SG ' ' A' ' 74' ' ' CYS . . . -160.08 -176.25 31.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.541 ' CA ' HG11 ' A' ' 19' ' ' VAL . 1.7 m -147.16 163.37 36.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.594 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -152.61 163.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -89.38 104.36 16.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.1 t80 -103.88 141.89 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.599 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 88.6 m -98.31 132.86 43.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.663 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -123.88 131.15 53.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' A' ' 63' ' ' ILE . 1.1 mmt180 -73.06 172.3 11.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -49.81 -23.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 80' ' ' ARG . 2.1 m-20 -90.36 -57.14 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -54.77 -42.73 72.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.8 p -38.6 -46.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 58.9 m-20 -54.61 -55.08 33.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.804 HD22 ' HB2' ' A' ' 119' ' ' ALA . 7.9 mt -63.5 -37.23 86.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.937 ' CE ' HG21 ' A' ' 68' ' ' ILE . 47.0 mmm -87.91 38.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.432 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.22 155.71 93.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.405 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 132.2 15.14 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.42 21.47 62.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -124.63 160.26 28.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.648 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 61.6 m -116.4 143.19 45.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.475 HG13 ' C ' ' A' ' 92' ' ' THR . 23.9 m -155.18 153.75 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.707 ' CG1' HG23 ' A' ' 32' ' ' THR . 29.7 mt -107.48 160.51 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.871 HD22 HD21 ' A' ' 109' ' ' LEU . 4.4 mp -121.73 114.96 21.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 12.0 mtp180 -107.78 113.18 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.4 t30 79.65 34.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.8 p -80.15 145.16 32.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -113.55 171.74 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mm -125.94 123.76 64.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.453 ' OD2' ' NH2' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -94.64 125.76 39.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -72.84 102.2 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.7 t80 -90.62 159.06 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.46 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.784 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.67 32.21 61.32 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.784 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.2 p -162.31 -173.25 3.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.43 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -151.34 175.14 12.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.453 ' NH2' ' OD2' ' A' ' 101' ' ' ASP . 35.6 mtm105 -155.1 166.4 33.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.871 HD21 HD22 ' A' ' 95' ' ' LEU . 20.0 tp -97.3 136.72 37.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.07 163.18 29.4 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.1 t -124.7 130.67 73.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.62 175.93 9.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -20.66 64.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -93.69 10.37 33.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 107.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -128.97 140.3 11.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.28 161.32 35.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.536 ' HB ' HD13 ' A' ' 86' ' ' LEU . 2.7 mt -77.68 153.8 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -96.4 -57.51 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.804 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 84.36 49.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.576 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.1 OUTLIER -37.84 -59.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 110.405 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.576 ' H ' HG23 ' A' ' 120' ' ' THR . . . 140.74 -62.89 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.38 143.93 30.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 1.091 ' HB1' ' CE2' ' A' ' 125' ' ' PHE . . . -88.35 -51.35 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER 83.39 -3.47 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 1.091 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 7.5 p90 -114.95 159.63 20.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.7 m -94.74 121.89 36.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.827 HG21 HD11 ' A' ' 36' ' ' ILE . 20.7 t -59.47 126.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 5.6 tttt -62.71 86.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.9 53.49 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -142.99 -47.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.717 ' O ' HD23 ' A' ' 133' ' ' LEU . 65.2 t30 -91.94 45.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.493 ' OD1' ' CB ' ' A' ' 134' ' ' SER . 59.6 t-20 -63.8 103.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.771 HD11 ' O ' ' A' ' 19' ' ' VAL . 3.6 mt -64.35 -12.69 44.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.493 ' CB ' ' OD1' ' A' ' 132' ' ' ASN . 1.2 p -77.74 1.55 19.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.967 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 132' ' ' ASN . 7.6 mt -120.59 -67.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' A' ' 133' ' ' LEU . 10.1 p -40.04 158.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 32.2 mt-10 -122.14 138.63 54.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 110.354 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 10.1 m-30 -92.22 21.1 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -135.19 95.73 3.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 24.8 p -54.32 136.68 43.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 125.62 153.01 8.34 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.3 m -45.3 144.98 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.31 95.23 2.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.92 96.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.735 . . . . 0.0 110.028 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -165.35 144.18 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.35 -133.77 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.55 117.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.986 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.28 118.48 11.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.052 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.15 -145.07 17.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m 61.34 125.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.3 m 59.15 105.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.96 105.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -77.43 175.95 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -154.48 135.65 13.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.22 153.38 81.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.2 t -74.19 -30.06 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' HG22 ' A' ' 30' ' ' THR . 4.7 m-85 -105.05 168.56 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -108.24 -170.83 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 15.5 mmtt -133.73 179.29 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.796 HG12 HD11 ' A' ' 133' ' ' LEU . 98.3 t -74.56 -40.97 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.56 -6.49 44.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.96 1.84 48.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 100' ' ' ILE . 53.9 mt -79.91 157.07 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 9.7 mttt -171.6 166.23 4.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.39 31.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.94 35.83 17.39 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -134.48 157.81 45.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -150.94 173.76 13.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.69 92.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -118.79 155.13 31.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.57 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.495 HG22 ' CE2' ' A' ' 16' ' ' PHE . 3.6 m -134.85 104.6 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -153.12 166.97 30.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.777 HG23 HG13 ' A' ' 94' ' ' ILE . 7.2 m -104.65 111.17 23.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.49 134.7 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -107.63 120.19 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.7 t -65.48 145.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.803 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -119.04 -50.81 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 7.1 mt-10 -136.65 163.02 31.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -149.51 107.52 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.618 ' C ' HG13 ' A' ' 64' ' ' VAL . 13.3 m-80 -139.08 148.86 43.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 pt -53.52 159.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.685 HG22 ' CG ' ' A' ' 65' ' ' GLU . 41.4 t -76.81 94.6 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' O ' HG22 ' A' ' 44' ' ' VAL . 21.3 m -106.48 157.78 34.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 116.73 4.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -138.51 -87.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 p -101.49 -94.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.678 ' HD2' HD13 ' A' ' 76' ' ' LEU . 3.1 ptp85 -60.46 89.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.31 108.56 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.3 m -40.42 -72.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.32 133.89 6.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.02 80.2 2.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.786 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 50' ' ' PRO . . . 177.33 92.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.44 89.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.19 102.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.047 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -164.44 92.53 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.2 m 61.35 168.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -43.74 124.14 3.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 62.44 5.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t 51.56 71.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 60.35 150.02 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.42 19.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.18 91.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.98 111.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm -115.87 129.64 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.618 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.1 t -129.64 138.52 54.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.685 ' CG ' HG22 ' A' ' 41' ' ' VAL . 48.1 mt-10 -90.45 115.43 27.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 7.2 m -112.94 146.9 38.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' ILE . 21.2 tp -92.65 122.16 34.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.847 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.81 154.16 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.678 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 173.63 -165.1 36.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.437 1.086 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.596 ' OD1' ' CE1' ' A' ' 125' ' ' PHE . 11.3 t0 -137.12 -179.23 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -47.46 -23.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.446 ' O ' ' CE ' ' A' ' 128' ' ' LYS . 23.9 p -75.9 -78.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.438 ' C ' HG11 ' A' ' 19' ' ' VAL . . . -146.99 -172.41 17.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.525 ' N ' HG11 ' A' ' 19' ' ' VAL . 1.1 p -140.2 166.18 25.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.677 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -148.22 164.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.678 HD13 ' HD2' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -85.13 114.74 22.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.652 ' HE2' HD21 ' A' ' 95' ' ' LEU . 2.0 t80 -116.09 140.37 49.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 82.9 m -99.59 129.06 45.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.737 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -121.83 131.25 53.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.9 mmt180 -72.61 172.36 10.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -50.73 -21.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.8 OUTLIER -90.94 -55.92 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.4 -43.44 88.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.7 p -38.48 -45.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -54.68 -54.36 42.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.936 HD22 ' HB2' ' A' ' 119' ' ' ALA . 4.3 mt -65.32 -35.38 80.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.847 ' CE ' HG21 ' A' ' 68' ' ' ILE . 62.0 mmm -87.7 41.27 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -74.94 155.73 86.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.4 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.97 133.06 16.17 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.98 20.47 61.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.14 162.38 22.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.592 ' OG1' ' HB2' ' A' ' 123' ' ' ALA . 90.9 m -120.68 130.53 54.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.966 HG12 ' HA ' ' A' ' 119' ' ' ALA . 19.4 m -140.02 161.73 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.777 HG13 HG23 ' A' ' 32' ' ' THR . 15.4 mt -117.28 154.73 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.781 HD22 ' CD2' ' A' ' 109' ' ' LEU . 2.2 mp -117.21 114.47 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 3.7 mtt180 -109.66 118.26 36.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.7 t30 79.51 20.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.407 ' CB ' HD23 ' A' ' 95' ' ' LEU . 18.6 p -66.83 144.92 56.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.82 140.01 53.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.533 HD11 HD13 ' A' ' 22' ' ' LEU . 12.3 mm -90.91 127.61 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 107' ' ' MET . 2.4 m-20 -94.7 125.52 39.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.422 ' HE1' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -80.29 95.91 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.512 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 8.3 t80 -83.6 158.05 22.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -41.45 97.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' PHE . . . 57.38 38.49 87.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -167.49 179.89 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.397 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.585 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.1 ptt? -152.88 165.88 34.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -154.29 166.64 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.781 ' CD2' HD22 ' A' ' 95' ' ' LEU . 20.7 tp -94.49 138.16 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -152.76 169.47 31.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.47 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 53.8 t -130.35 130.43 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -80.34 174.32 11.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -23.19 67.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -91.11 12.95 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 107.962 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.3 148.88 17.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -145.01 153.56 41.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.5 mt -78.18 151.87 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.648 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 7.1 tp10 -95.47 -48.35 5.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.966 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 81.25 40.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.532 HG21 HG23 ' A' ' 32' ' ' THR . 1.8 t -39.88 152.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -40.79 -93.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.29 169.1 18.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.592 ' HB2' ' OG1' ' A' ' 92' ' ' THR . . . -91.54 137.0 32.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.7 t -106.87 10.75 30.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CE1' ' OD1' ' A' ' 70' ' ' ASP . 5.2 p90 -129.31 160.39 33.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.1 m -102.71 114.82 29.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.803 HG21 HD11 ' A' ' 36' ' ' ILE . 17.2 t -55.69 124.15 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' ' 72' ' ' THR . 3.9 ttmm -79.05 89.72 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 59.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.09 -45.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.425 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 58.6 t30 -86.33 50.46 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.983 ' HB3' HD21 ' A' ' 135' ' ' LEU . 17.9 t-20 -74.05 136.04 43.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.796 HD11 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -113.75 19.37 16.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.683 ' C ' HD13 ' A' ' 135' ' ' LEU . 10.8 p -97.97 -4.38 36.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.983 HD21 ' HB3' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -117.07 -37.53 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 106' ' ' THR . 45.2 t -49.78 164.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.47 ' N ' HG12 ' A' ' 136' ' ' VAL . 43.0 mt-10 -139.48 125.25 19.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 8.2 m-30 -96.34 45.78 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -78.02 147.68 34.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 71.0 p -164.78 166.09 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -61.11 179.19 3.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 76.17 3.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 24.3 m -44.01 -57.37 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.0 m -154.61 90.78 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -162.11 172.31 16.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 110.012 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 p -134.64 165.51 25.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.84 -164.36 18.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 m -160.98 169.74 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.5 167.76 22.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.045 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.07 -148.08 14.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.6 p -163.15 140.69 7.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -171.74 163.1 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 10' ' ' VAL . 11.9 p -169.28 55.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -113.6 149.02 35.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.36 55.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HE3' HG13 ' A' ' 17' ' ' VAL . 4.5 ptmt -170.0 156.88 6.0 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -167.35 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.21 -34.78 60.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 30' ' ' THR . 5.9 m-85 -106.33 167.88 9.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG13 ' HE3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -109.35 -170.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HD2' HG21 ' A' ' 72' ' ' THR . 15.8 mttt -131.47 176.53 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.684 HG13 ' CG2' ' A' ' 75' ' ' ILE . 79.2 t -73.52 -47.29 45.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 14.3 pt-20 -68.95 -7.47 35.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -10.83 35.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.29 159.0 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -166.37 165.25 10.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.498 ' HB3' ' HE3' ' A' ' 102' ' ' MET . 18.2 Cg_endo -74.98 143.31 28.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.12 43.96 8.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 p -138.12 157.45 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -149.14 169.34 20.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 41.11 93.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -121.4 155.78 34.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.4 HG22 ' CE2' ' A' ' 16' ' ' PHE . 2.8 m -135.46 110.86 9.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.424 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -157.09 165.69 35.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.631 HG23 HG13 ' A' ' 94' ' ' ILE . 4.3 m -100.97 106.02 17.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.3 m -101.62 133.15 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.1 tttt -106.5 123.21 47.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.56 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -69.03 144.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.544 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -119.57 -51.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.27 170.6 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.65 107.67 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.691 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -130.02 145.41 51.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.794 HG22 HG22 ' A' ' 64' ' ' VAL . 13.3 pt -67.2 157.89 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.503 HG12 ' CD ' ' A' ' 65' ' ' GLU . 16.3 m -94.55 126.91 46.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -121.49 154.95 59.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG13 ' H ' ' A' ' 45' ' ' THR . 3.2 p -179.21 -59.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.604 ' H ' HG13 ' A' ' 44' ' ' VAL . 9.7 t -175.27 151.91 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -70.83 118.3 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER 87.51 104.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -146.53 158.59 43.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -49.45 164.79 0.31 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 88.46 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.19 -58.36 7.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.4 169.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.7 81.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.971 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.431 HD11 HH21 ' A' ' 62' ' ' ARG . 0.3 OUTLIER -49.05 161.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.53 -59.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -60.58 163.26 9.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 177.36 8.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -43.64 147.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -126.79 152.13 74.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 132.84 15.86 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.83 86.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.431 HH21 HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.77 103.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.566 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.6 mm -104.69 135.22 43.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 40' ' ' ILE . 87.1 t -141.31 139.87 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' CD ' HG12 ' A' ' 41' ' ' VAL . 22.8 mt-10 -86.29 131.74 34.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.7 m -129.37 148.98 51.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 108.313 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.443 HD21 ' OE1' ' A' ' 129' ' ' GLU . 22.1 tp -97.18 118.52 33.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.857 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -134.32 153.2 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.657 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 172.1 -157.98 28.25 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.459 1.099 . . . . 0.0 111.052 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.505 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 12.2 t0 -136.14 -179.4 5.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -50.66 -25.13 3.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.463 HG21 ' HD2' ' A' ' 18' ' ' LYS . 51.1 p -70.78 -79.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -140.51 -172.72 13.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.43 ' CA ' HG11 ' A' ' 19' ' ' VAL . 1.1 p -144.28 157.57 44.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.684 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.06 163.47 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 76' ' ' LEU . 11.3 mt -88.65 121.75 31.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.788 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.4 t80 -124.83 134.91 52.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.566 ' CG2' HD12 ' A' ' 63' ' ' ILE . 22.3 m -88.98 129.17 35.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -116.55 133.83 55.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.443 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.43 164.43 26.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.569 ' O ' HG12 ' A' ' 84' ' ' VAL . 47.5 t-20 -45.59 -24.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -87.03 -63.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 84' ' ' VAL . 20.8 mt-30 -52.14 -37.7 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.9 p -38.45 -41.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -55.93 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.927 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.9 mt -63.58 -27.53 69.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.857 ' CE ' HG21 ' A' ' 68' ' ' ILE . 51.1 mmm -96.33 38.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.38 156.25 85.48 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 132.95 15.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.17 22.81 58.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.21 158.54 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.871 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 23.1 m -114.34 136.42 53.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.727 HG11 ' O ' ' A' ' 86' ' ' LEU . 21.8 m -148.54 160.37 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.631 HG13 HG23 ' A' ' 32' ' ' THR . 7.4 mt -114.1 159.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.788 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.7 mp -121.07 115.53 23.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.01 125.71 53.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 70.61 25.9 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.6 p -68.14 141.91 55.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.04 146.4 34.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.567 HD12 ' SD ' ' A' ' 107' ' ' MET . 21.3 mm -103.97 118.43 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 107' ' ' MET . 1.0 OUTLIER -94.3 124.33 38.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.508 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.35 96.4 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.691 ' HB3' HG23 ' A' ' 106' ' ' THR . 5.1 t80 -81.36 159.08 24.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.618 ' O ' HG22 ' A' ' 106' ' ' THR . 0.7 OUTLIER -40.21 96.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.775 ' C ' HG22 ' A' ' 106' ' ' THR . . . 58.9 52.66 52.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.775 HG22 ' C ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER 169.28 179.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.365 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.567 ' SD ' HD12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -147.7 158.87 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -137.1 167.46 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.693 ' CD2' HD22 ' A' ' 95' ' ' LEU . 16.3 tp -95.33 139.75 31.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -158.44 168.92 34.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.67 122.2 54.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.57 175.86 7.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -21.49 66.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -95.02 25.88 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -142.47 145.93 16.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.45 155.74 47.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.9 mt -77.45 155.92 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -97.48 -56.31 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.927 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 84.16 51.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.509 ' HB ' HD12 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -40.23 -53.76 2.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.414 ' H ' HG23 ' A' ' 120' ' ' THR . . . 140.36 -79.95 0.27 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.68 153.54 51.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.751 . . . . 0.0 109.287 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.871 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -99.47 141.76 31.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.97 14.9 30.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.059 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.505 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.0 p90 -128.69 156.93 42.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.6 m -98.98 110.19 22.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.544 HG21 HD11 ' A' ' 36' ' ' ILE . 40.9 t -56.66 140.23 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.49 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 4.4 ttpt -101.57 106.62 17.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.443 ' OE1' HD21 ' A' ' 67' ' ' LEU . 1.1 mt-10 -86.56 48.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -127.25 -44.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.49 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 15.7 t-20 -92.36 43.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.689 ' ND2' HD11 ' A' ' 135' ' ' LEU . 2.9 m-20 -62.7 136.2 57.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.626 HD11 HG12 ' A' ' 19' ' ' VAL . 2.5 mt -97.8 -2.09 41.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.42 ' OG ' HD23 ' A' ' 135' ' ' LEU . 1.4 p -94.6 -22.48 18.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.689 HD11 ' ND2' ' A' ' 132' ' ' ASN . 0.2 OUTLIER -106.85 38.85 1.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 133' ' ' LEU . 8.7 p -155.71 145.31 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.506 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 26.1 mt-10 -115.97 134.76 54.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' GLY . 22.9 m-85 -92.62 47.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -106.1 149.85 26.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.5 p 169.44 -45.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 132.27 -163.66 23.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 77.59 3.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.71 146.23 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.46 102.6 15.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 0.0 111.043 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -168.51 141.05 2.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.97 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t 177.06 126.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.27 117.87 0.42 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t 179.32 139.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.978 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.6 157.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.29 122.95 4.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.6 t -177.1 160.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.0 m -105.74 122.94 47.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.394 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -152.33 87.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -49.09 166.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -125.1 123.19 39.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -171.84 153.12 3.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -167.17 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.1 t -71.11 -30.84 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -106.84 164.63 11.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.848 HG13 HD13 ' A' ' 31' ' ' LEU . 11.8 p -93.7 175.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.651 ' H ' HG22 ' A' ' 17' ' ' VAL . 2.0 mmtm -123.44 168.77 12.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.632 HG12 HD11 ' A' ' 133' ' ' LEU . 85.8 t -72.25 -38.97 63.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.76 -8.39 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.01 -9.88 32.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.54 158.57 20.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -165.8 163.31 12.55 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HB3' ' HE3' ' A' ' 102' ' ' MET . 18.3 Cg_endo -74.99 141.63 26.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.78 29.22 29.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 27' ' ' THR . 69.0 p -122.34 161.27 23.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 26' ' ' THR . 2.5 p -154.92 176.56 12.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.85 90.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -121.47 158.56 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 0.0 109.585 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.4 m -138.16 106.32 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.848 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -152.89 166.67 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.529 HG23 HG21 ' A' ' 120' ' ' THR . 57.5 m -101.53 112.81 25.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.44 137.72 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.572 ' HG3' ' HB2' ' A' ' 123' ' ' ALA . 2.2 tttm -108.6 120.2 41.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.462 ' O ' HD13 ' A' ' 36' ' ' ILE . 2.4 t -69.15 145.19 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.688 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.89 -51.16 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.03 167.11 20.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.77 104.24 2.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.608 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -128.52 135.95 50.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' HA ' HG22 ' A' ' 64' ' ' VAL . 17.1 pt -52.08 155.29 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 41' ' ' VAL . 17.8 m -85.14 109.56 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 m -103.73 157.27 34.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.555 1.818 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -143.89 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.422 ' CG2' ' N ' ' A' ' 46' ' ' ARG . 3.1 t -168.16 -47.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.728 ' NH1' HD23 ' A' ' 76' ' ' LEU . 7.1 mtm180 -76.64 100.4 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt 64.05 76.19 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.2 t -96.54 131.09 43.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 62.2 136.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.457 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.1 Cg_endo -75.0 -48.48 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 50' ' ' PRO . . . 69.28 -72.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -46.64 128.49 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.61 170.54 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -100.11 149.43 23.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m -94.79 -55.52 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' O ' HD23 ' A' ' 54' ' ' LEU . 6.6 mtm180 -87.68 115.88 64.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 66.11 6.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.18 86.88 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 59.03 153.61 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.51 42.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.72 94.08 9.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 108.63 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.4 mm -109.01 129.58 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.608 HG13 ' C ' ' A' ' 39' ' ' ASN . 96.9 t -130.11 140.85 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.717 ' HB3' HD11 ' A' ' 76' ' ' LEU . 35.0 mt-10 -94.0 123.23 37.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -121.65 144.09 48.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD22 HG13 ' A' ' 36' ' ' ILE . 6.5 tt -87.86 118.99 27.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.902 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.54 153.93 39.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.433 ' O ' HG22 ' A' ' 127' ' ' VAL . . . 172.84 -172.35 45.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -131.86 -179.35 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.23 -25.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.453 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 11.6 p -73.07 -79.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.22 -172.46 18.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -138.92 167.84 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.703 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -151.17 163.27 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.728 HD23 ' NH1' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -85.04 109.36 18.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.806 ' CE1' HD21 ' A' ' 95' ' ' LEU . 76.7 t80 -109.12 151.04 26.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.6 m -106.13 125.61 51.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.681 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -115.36 132.06 56.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.3 mmm-85 -72.78 169.81 15.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -50.75 -21.69 1.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -91.59 -55.78 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' VAL . 2.1 mt-30 -57.21 -40.26 77.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.6 p -38.17 -44.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 14.4 m-20 -57.78 -54.95 41.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.941 HD22 ' HB2' ' A' ' 119' ' ' ALA . 4.2 mt -63.53 -31.44 72.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.902 ' CE ' HG21 ' A' ' 68' ' ' ILE . 61.0 mmm -91.95 41.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -75.01 155.19 86.62 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.36 15.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.15 21.86 58.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.77 158.91 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.878 ' OG1' ' HB2' ' A' ' 123' ' ' ALA . 32.8 m -116.11 132.98 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.731 HG12 ' HA ' ' A' ' 119' ' ' ALA . 25.4 m -145.31 159.61 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.56 HD12 ' HB ' ' A' ' 120' ' ' THR . 7.9 mt -111.21 150.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.806 HD21 ' CE1' ' A' ' 77' ' ' PHE . 1.9 mp -114.91 114.37 25.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -106.61 147.93 28.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 48.87 26.14 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.9 p -70.62 138.55 50.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.66 159.93 15.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' A' ' 107' ' ' MET . 16.0 mm -113.2 121.59 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 107' ' ' MET . 3.8 m-20 -94.81 123.9 38.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.534 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -81.11 101.64 9.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.656 ' HB3' HG23 ' A' ' 106' ' ' THR . 4.9 t80 -86.77 158.84 19.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.522 ' O ' HG22 ' A' ' 106' ' ' THR . 17.4 mtmt -40.61 97.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.781 ' C ' HG22 ' A' ' 106' ' ' THR . . . 61.47 55.02 31.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.781 HG22 ' C ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER 165.27 176.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.378 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.555 ' SD ' HD12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -138.94 160.83 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.661 HH21 HD12 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -138.68 167.5 21.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.703 ' HB3' HD11 ' A' ' 75' ' ' ILE . 15.7 tp -96.93 141.82 29.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -159.13 164.0 33.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.416 HG13 ' HA3' ' A' ' 115' ' ' GLY . 62.6 t -125.78 138.52 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -93.43 174.21 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -59.99 -28.02 67.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.411 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 5.8 m95 -86.25 5.18 35.56 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.416 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -120.75 145.54 17.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -143.55 157.44 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.39 156.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.641 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -98.96 -52.93 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.941 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 81.57 46.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.56 ' HB ' HD12 ' A' ' 94' ' ' ILE . 1.7 t -47.45 173.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.419 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -59.16 -96.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -122.47 168.49 12.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.878 ' HB2' ' OG1' ' A' ' 92' ' ' THR . . . -75.06 -62.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 2.7 t 82.35 -1.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 34' ' ' LYS . 6.7 p90 -133.61 161.44 34.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 84.2 m -104.06 124.3 48.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.688 HG21 HD11 ' A' ' 36' ' ' ILE . 43.6 t -64.02 141.57 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -97.81 85.88 3.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.96 -13.4 34.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -21.21 60.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -117.73 63.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.605 ' CB ' HD12 ' A' ' 135' ' ' LEU . 2.5 t-20 -88.89 124.38 34.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.639 HD23 ' N ' ' A' ' 133' ' ' LEU . 0.5 OUTLIER -84.85 -5.46 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -2.92 34.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.605 HD12 ' CB ' ' A' ' 132' ' ' ASN . 11.0 mt -115.51 32.65 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.5 p -160.12 143.65 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 25.6 mt-10 -108.07 134.21 51.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 106' ' ' THR . 22.3 m-85 -90.72 166.56 13.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 53.56 80.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.17 104.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -119.27 -167.34 13.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 66.4 5.98 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 75.1 m -167.31 156.08 9.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.67 -54.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -172.23 171.76 4.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m 64.28 155.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.95 127.66 1.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.99 154.62 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 p -163.65 159.7 21.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.23 177.18 42.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -174.75 104.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.989 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.3 p -142.83 159.54 42.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 10' ' ' VAL . 6.3 p -166.34 59.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -109.01 130.72 55.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.89 68.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.38 159.64 30.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.3 36.47 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 16' ' ' PHE . 74.7 t -116.72 -80.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 15' ' ' VAL . 29.6 m-85 54.58 163.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -169.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 2.4 mttm -133.27 167.22 20.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.718 HG12 ' CD1' ' A' ' 133' ' ' LEU . 60.4 t -62.71 -53.01 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -61.43 -13.84 23.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.51 2.31 53.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.0 mt -84.93 152.71 23.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -163.15 167.4 11.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.503 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.3 Cg_endo -74.97 143.5 29.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.87 8.5 67.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 27' ' ' THR . 43.0 p -108.2 159.67 16.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 110.368 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 26' ' ' THR . 3.9 p -155.96 174.0 15.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.46 90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.57 1.169 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.491 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 79.2 m-70 -122.66 158.05 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 5.6 m -133.09 115.53 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -162.29 166.85 24.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.83 HG23 HG13 ' A' ' 94' ' ' ILE . 20.2 m -101.46 122.16 43.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.92 135.29 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.496 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.2 tttt -107.21 118.68 37.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.241 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.602 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.9 t -66.49 147.16 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.821 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.08 -50.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -133.4 161.89 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.34 106.0 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.656 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -128.86 141.68 51.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.625 HG22 HG22 ' A' ' 64' ' ' VAL . 34.8 pt -57.31 157.65 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 65' ' ' GLU . 5.0 m -86.55 100.79 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.595 HG13 HG13 ' A' ' 40' ' ' ILE . 6.8 m -110.2 159.06 33.39 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' O ' HG23 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.05 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 43' ' ' PRO . 2.2 t -152.65 -61.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -146.53 167.92 22.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 mtm105 69.27 -61.79 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -97.97 71.05 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.0 m -104.16 51.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -61.62 -53.04 64.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.4 Cg_endo -74.98 178.97 6.55 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.43 1.753 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.32 -53.72 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 m -111.84 153.82 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.974 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 m -54.28 114.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.98 79.72 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.64 118.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 62.04 91.07 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.32 97.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.0 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -121.22 150.0 52.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -41.48 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p -89.39 93.23 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.06 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.22 117.09 3.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 80' ' ' ARG . 2.6 mm -130.48 132.77 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.656 HG13 ' C ' ' A' ' 39' ' ' ASN . 99.5 t -134.16 140.11 46.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.518 ' CG ' HD11 ' A' ' 76' ' ' LEU . 32.9 mt-10 -90.76 128.66 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.55 153.57 45.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.456 HD21 ' SG ' ' A' ' 74' ' ' CYS . 5.8 tt -100.82 116.44 32.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.923 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.92 152.33 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.501 ' O ' HG22 ' A' ' 127' ' ' VAL . . . 170.34 -167.94 41.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.467 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 2.2 t70 -128.77 -179.7 5.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 72' ' ' THR . 4.2 pt-20 -46.1 -26.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 17.3 p -67.04 -78.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.33 -173.21 21.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.456 ' SG ' HD21 ' A' ' 67' ' ' LEU . 8.2 p -134.58 169.05 17.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.623 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.05 162.17 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -88.29 100.91 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.792 ' CE2' HD21 ' A' ' 95' ' ' LEU . 7.3 t80 -105.41 138.68 41.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 91.1 m -93.77 132.11 38.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.681 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -121.68 129.65 52.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HA ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -72.11 169.87 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' VAL . 51.0 t30 -50.26 -20.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -90.69 -59.74 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 86' ' ' LEU . 30.8 mt-30 -57.55 -41.79 81.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' GLN . 5.4 p -37.35 -47.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 84' ' ' VAL . 8.7 m-20 -55.11 -54.55 41.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.919 HD22 ' HB2' ' A' ' 119' ' ' ALA . 2.3 mt -64.34 -28.23 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.923 ' CE ' HG21 ' A' ' 68' ' ' ILE . 60.6 mmm -93.16 35.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.476 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.2 158.38 88.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.32 13.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.27 27.64 51.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -128.95 137.78 51.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.504 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 21.8 m -93.7 129.66 39.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.799 HG11 ' O ' ' A' ' 86' ' ' LEU . 35.0 m -141.36 152.69 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.83 HG13 HG23 ' A' ' 32' ' ' THR . 4.7 mt -111.65 149.37 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.997 HD22 HD21 ' A' ' 109' ' ' LEU . 2.8 mp -110.95 128.3 55.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -119.66 121.12 38.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 71.91 26.48 2.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.574 ' CB ' HD23 ' A' ' 95' ' ' LEU . 70.0 p -70.35 127.7 33.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 9.1 ptm180 -102.89 159.26 15.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -108.18 122.59 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.414 ' OD1' ' NH2' ' A' ' 99' ' ' ARG . 4.0 m-20 -95.26 124.43 39.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.432 ' HE3' ' O ' ' A' ' 106' ' ' THR . 8.5 tpt -72.99 120.78 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' GLY . 5.3 t80 -112.27 158.97 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' A' ' 106' ' ' THR . 3.5 ptpt -39.85 95.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.663 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.63 41.4 73.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -170.87 -179.37 2.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 110.349 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.607 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 0.7 OUTLIER -149.94 172.95 14.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -155.03 159.89 40.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.997 HD21 HD22 ' A' ' 95' ' ' LEU . 34.3 tp -96.71 136.15 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -152.52 178.57 29.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 t -132.92 126.37 53.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.88 170.56 16.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -59.52 -22.26 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 7.2 m95 -93.92 25.49 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -146.5 145.43 14.33 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.84 158.86 43.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 0.769 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 mt -78.81 155.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.3 tt0 -94.76 -53.05 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.919 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 84.16 44.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.607 HG21 HG23 ' A' ' 32' ' ' THR . 2.1 t -47.83 172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -62.89 -108.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.86 178.15 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.504 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -113.86 125.76 54.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 t -91.25 3.02 55.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 6.4 p90 -117.01 160.69 20.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 60.6 m -106.72 117.23 33.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.821 HG21 HD11 ' A' ' 36' ' ' ILE . 59.7 t -54.66 148.01 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.455 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 7.0 tttt -105.58 102.34 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.36 53.99 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.45 -47.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.565 ' O ' HD23 ' A' ' 133' ' ' LEU . 11.3 t-20 -87.55 46.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.563 ' HB3' HD12 ' A' ' 135' ' ' LEU . 10.8 t-20 -59.41 133.77 56.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.718 ' CD1' HG12 ' A' ' 19' ' ' VAL . 6.0 mt -94.91 -14.65 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -84.07 3.81 33.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 132' ' ' ASN . 20.9 mt -113.15 -57.39 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 133' ' ' LEU . 4.3 p -53.3 136.97 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 17.7 mt-10 -102.55 142.1 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.607 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 19.7 m-30 -100.25 146.33 27.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -134.06 -61.72 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t -171.59 87.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -151.18 132.53 3.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -40.76 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.77 136.75 14.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.9 p -61.44 122.46 15.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -161.98 -54.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m 62.29 157.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.52 107.49 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.41 151.05 14.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.62 143.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.65 161.65 1.69 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.23 166.82 14.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.0 p -124.94 130.66 52.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 10' ' ' VAL . 7.6 p -162.43 57.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.28 146.18 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -120.76 92.4 3.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.28 153.29 1.91 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -166.22 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.1 t -72.89 -31.44 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -102.68 160.8 14.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 1.3 m -102.44 -170.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 31' ' ' LEU . 6.4 mttt -135.11 -179.98 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.752 HG12 HD11 ' A' ' 133' ' ' LEU . 94.2 t -74.72 -39.85 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -71.62 -8.54 54.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.57 -4.44 50.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -79.92 154.24 28.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.25 168.83 8.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.593 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.4 Cg_endo -75.0 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.553 1.817 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.08 33.85 5.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 27' ' ' THR . 68.2 p -128.64 160.04 33.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 26' ' ' THR . 2.4 p -152.68 167.4 29.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.62 93.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -122.35 144.63 48.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 0.0 109.575 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 17' ' ' VAL . 26.8 m -124.55 113.24 17.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -161.37 168.73 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.586 HG23 HG13 ' A' ' 94' ' ' ILE . 27.6 m -104.31 108.44 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -101.71 136.99 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.4 tttt -110.92 119.94 40.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.6 t -66.32 145.64 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.631 HD11 HG21 ' A' ' 127' ' ' VAL . 1.9 mm -121.88 -47.72 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.9 mt-10 -135.46 160.6 37.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.13 107.29 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.674 ' C ' HG13 ' A' ' 64' ' ' VAL . 5.9 m120 -139.04 154.16 48.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.8 pt -52.88 157.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG22 ' CD ' ' A' ' 65' ' ' GLU . 38.1 t -77.88 114.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.6 m -106.48 156.48 36.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.04 103.97 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.708 ' O ' HG12 ' A' ' 44' ' ' VAL . 19.3 t -151.63 69.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p 44.83 46.9 9.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 46' ' ' ARG . 14.5 ttm105 -172.83 88.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.35 -72.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.8 m 57.35 70.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.14 152.21 43.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -60.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.3 -62.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.25 87.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m 44.68 66.94 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 56' ' ' ARG . 0.1 OUTLIER 55.68 68.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.65 -94.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 54' ' ' LEU . 4.5 mtm105 -57.42 156.4 16.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 163.16 35.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.5 p -158.64 -174.64 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -46.78 150.38 1.29 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.02 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 p -80.75 79.9 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -54.76 99.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mm -99.38 128.88 50.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.674 HG13 ' C ' ' A' ' 39' ' ' ASN . 79.4 t -135.0 137.53 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.651 ' HB3' HD11 ' A' ' 76' ' ' LEU . 59.4 mt-10 -87.88 140.33 29.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 10.8 m -136.91 148.28 46.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 67' ' ' LEU . 14.6 tp -93.99 116.07 28.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.949 HG21 ' HE1' ' A' ' 87' ' ' MET . 0.1 OUTLIER -129.49 154.18 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.575 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 167.8 -170.14 41.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -126.63 -179.29 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -25.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.429 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.7 p -70.68 -79.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.16 -172.26 17.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.457 ' CA ' HG11 ' A' ' 19' ' ' VAL . 24.0 p -142.38 169.7 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.592 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.0 163.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -84.67 104.08 14.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.852 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.8 t80 -103.76 144.08 31.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.563 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 56.6 m -101.91 130.67 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.744 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -121.52 133.59 55.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -72.85 169.16 17.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.438 ' O ' HG12 ' A' ' 84' ' ' VAL . 16.3 p-10 -47.91 -23.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.4 OUTLIER -89.25 -59.35 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -54.7 -42.1 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.3 p -37.58 -45.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -58.71 -53.72 55.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.837 HD22 ' HB2' ' A' ' 119' ' ' ALA . 12.3 mt -63.94 -31.53 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.949 ' HE1' HG21 ' A' ' 68' ' ' ILE . 57.8 mmm -91.11 37.36 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.455 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -71.23 157.06 90.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 131.64 14.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.62 19.85 59.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -122.62 151.37 41.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.849 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 48.2 m -111.83 127.73 55.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.937 HG12 ' HA ' ' A' ' 119' ' ' ALA . 35.3 m -138.51 155.79 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.586 HG13 HG23 ' A' ' 32' ' ' THR . 34.3 mt -109.22 152.88 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.852 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.7 mp -118.39 114.63 23.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -109.17 118.77 37.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.0 t30 80.79 21.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 p -67.02 127.91 34.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.41 146.24 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.44 HD11 HD13 ' A' ' 109' ' ' LEU . 24.5 mm -95.29 124.83 48.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.42 124.86 38.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.43 ' SD ' ' HB3' ' A' ' 24' ' ' PRO . 6.1 tpt -74.56 98.81 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 106' ' ' THR . 10.1 t80 -87.99 159.6 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.436 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 29.5 mtmt -40.16 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.816 ' O ' HG23 ' A' ' 106' ' ' THR . . . 53.46 37.16 55.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.2 p -163.15 174.29 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -143.27 163.67 32.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -153.26 166.73 31.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.491 ' CB ' HD11 ' A' ' 75' ' ' ILE . 13.8 tp -95.83 137.5 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -152.48 173.81 31.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 72.2 t -135.92 136.02 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.54 175.84 6.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -21.43 61.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -94.77 27.47 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.437 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -146.5 136.83 6.44 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.59 154.02 48.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.0 mt -78.14 156.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.726 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.6 tt0 -95.75 -60.11 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.937 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 88.84 36.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.528 HG21 HG23 ' A' ' 32' ' ' THR . 1.6 t -41.07 162.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.76 88.46 1.59 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 56.08 166.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.849 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -105.69 148.57 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.5 t -101.99 19.52 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.946 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -136.98 165.72 25.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.7 m -106.61 109.97 22.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.631 HG21 HD11 ' A' ' 36' ' ' ILE . 52.9 t -54.9 146.44 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 130' ' ' ASP . 3.5 ttpt -101.19 83.74 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.18 65.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -163.89 -42.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -85.19 50.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 1.0 ' HB2' HD21 ' A' ' 135' ' ' LEU . 0.5 OUTLIER -76.16 143.1 41.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.752 HD11 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.05 21.04 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.788 ' C ' HD13 ' A' ' 135' ' ' LEU . 0.9 OUTLIER -101.0 -1.19 34.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 1.0 HD21 ' HB2' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -113.44 -32.74 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.504 ' O ' HG22 ' A' ' 106' ' ' THR . 13.9 p -60.81 148.92 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.492 ' HG2' HG23 ' A' ' 106' ' ' THR . 40.1 mt-10 -120.35 128.11 52.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.593 ' CD2' ' HG3' ' A' ' 24' ' ' PRO . 21.4 m-85 -97.91 35.32 1.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -132.94 169.02 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.18 -46.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -165.2 -157.89 10.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 85.27 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.23 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.23 98.76 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -169.89 165.44 9.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -166.97 166.82 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.93 177.36 41.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.55 149.19 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.976 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 p -165.33 156.09 13.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.51 -179.6 42.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.93 -170.77 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -68.11 145.04 54.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 m -143.96 69.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 151.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.58 130.76 54.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.369 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -173.99 158.72 2.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.12 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.565 1.824 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -67.1 -32.21 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -109.99 169.0 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.86 HG13 HD13 ' A' ' 31' ' ' LEU . 14.6 p -95.49 173.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.593 ' H ' HG22 ' A' ' 17' ' ' VAL . 4.1 mmtt -121.71 171.73 8.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.598 HG12 ' CD1' ' A' ' 133' ' ' LEU . 94.8 t -73.19 -42.98 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.93 -7.13 32.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -92.46 -15.31 27.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.7 154.04 37.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.22 158.4 29.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB3' ' CE ' ' A' ' 102' ' ' MET . 18.2 Cg_endo -75.02 56.84 4.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' C ' HG23 ' A' ' 26' ' ' THR . . . 177.62 48.72 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.51 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 40.8 p -152.98 151.34 30.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -136.64 165.72 25.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.87 92.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.51 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.1 m-70 -115.2 158.87 21.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.592 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.409 HG23 ' HD3' ' A' ' 96' ' ' ARG . 32.5 m -138.91 105.7 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.86 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -154.17 163.48 40.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.692 HG23 HG13 ' A' ' 94' ' ' ILE . 8.7 m -97.35 108.3 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.5 m -101.74 137.19 30.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.9 tttt -108.15 120.54 42.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.5 t -67.88 145.14 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -120.22 -48.74 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 4.5 mt-10 -139.01 165.24 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.447 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -153.82 106.3 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.522 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -129.17 142.04 50.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.515 HG22 HG22 ' A' ' 64' ' ' VAL . 29.3 pt -51.21 156.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG22 ' HG3' ' A' ' 65' ' ' GLU . 39.2 t -79.17 100.7 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 m -112.96 158.15 38.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 105.23 2.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 45' ' ' THR . 3.6 p -177.39 111.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER 77.61 -55.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.538 ' N ' HG22 ' A' ' 45' ' ' THR . 5.4 ptp85 -137.33 148.99 46.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.4 -81.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.5 m 65.37 63.81 0.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 63.34 157.88 0.12 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -39.8 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 50.43 90.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.73 78.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.9 132.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.02 61.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m 61.43 141.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 60.84 149.73 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 96.18 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -84.14 -172.69 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -56.03 149.85 32.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 111.82 3.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.65 97.34 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -74.85 -14.03 60.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.45 HG22 HG21 ' A' ' 41' ' ' VAL . 2.2 mm 60.98 129.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.522 HG13 ' C ' ' A' ' 39' ' ' ASN . 96.4 t -130.04 141.33 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.525 ' HG3' HG22 ' A' ' 41' ' ' VAL . 20.0 mt-10 -94.52 127.93 40.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.0 m -125.58 148.82 48.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 67' ' ' LEU . 15.8 tp -97.31 117.82 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.89 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.57 153.32 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.437 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 170.11 -170.64 43.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.592 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -124.86 -179.38 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -31.2 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.449 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.7 p -63.47 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.83 -172.84 18.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.117 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.434 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 25.8 p -137.02 168.89 18.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.568 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.98 163.22 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 101.61 14.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.667 ' CE2' HD21 ' A' ' 95' ' ' LEU . 10.4 t80 -107.28 133.36 51.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 31.2 m -86.71 135.94 33.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.341 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.596 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -122.65 129.48 51.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.44 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.15 165.76 23.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.54 ' O ' HG12 ' A' ' 84' ' ' VAL . 31.5 t30 -46.94 -23.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.44 ' N ' ' C ' ' A' ' 80' ' ' ARG . 1.7 m-20 -87.65 -61.53 1.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 84' ' ' VAL . 31.4 mt-30 -54.39 -39.21 67.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.9 p -38.05 -42.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.1 -56.17 25.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.973 HD22 ' HB2' ' A' ' 119' ' ' ALA . 13.5 mt -64.07 -26.07 68.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.89 ' CE ' HG21 ' A' ' 68' ' ' ILE . 51.5 mmm -97.46 44.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.89 153.74 80.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.447 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.04 125.66 9.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.5 28.37 22.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.087 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.15 161.19 35.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.665 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 82.0 m -116.01 137.86 51.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.56 HG11 ' O ' ' A' ' 86' ' ' LEU . 31.1 m -153.43 156.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.692 HG13 HG23 ' A' ' 32' ' ' THR . 12.9 mt -106.2 156.77 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.667 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.5 mp -117.67 114.08 22.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' HD3' HG23 ' A' ' 30' ' ' THR . 0.4 OUTLIER -106.14 130.99 53.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.0 t30 65.9 33.03 8.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.557 ' HB2' HD11 ' A' ' 109' ' ' LEU . 14.0 p -80.64 130.49 35.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -106.44 165.03 11.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.6 mm -117.19 120.73 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.37 125.59 40.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.51 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -72.38 101.71 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 111.044 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.1 t80 -89.08 158.88 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.32 97.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.812 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.99 32.33 62.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.812 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.1 p -163.07 -173.95 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.393 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -153.44 163.48 39.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -147.01 156.73 43.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.248 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.578 ' CD2' HD23 ' A' ' 95' ' ' LEU . 35.4 tp -97.48 134.61 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -148.9 164.78 29.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.8 131.33 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.42 176.25 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -40.94 89.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -68.37 -15.92 63.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.32 145.42 16.53 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.6 ptt85 -142.75 158.78 43.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.434 ' HB ' HD13 ' A' ' 86' ' ' LEU . 10.7 mt -77.09 156.34 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.685 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -99.79 -57.51 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.973 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 83.87 55.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.57 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.0 OUTLIER -42.33 -59.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.57 ' H ' HG23 ' A' ' 120' ' ' THR . . . 149.62 -78.61 0.22 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.0 156.12 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.665 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -97.24 140.66 31.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.25 6.21 32.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.158 . . . . 0.0 109.97 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 4.7 p90 -121.53 167.0 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.2 m -109.28 109.33 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 36' ' ' ILE . 61.9 t -54.85 147.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 131' ' ' ASN . 4.0 ttmm -104.5 96.09 6.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.72 57.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -147.31 -46.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.413 ' CB ' ' HD2' ' A' ' 128' ' ' LYS . 57.6 t30 -83.54 54.22 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.589 ' HB3' HD12 ' A' ' 135' ' ' LEU . 4.3 t-20 -70.23 134.51 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.61 ' HA ' HG12 ' A' ' 136' ' ' VAL . 5.9 mt -95.84 -18.75 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.91 1.15 32.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.589 HD12 ' HB3' ' A' ' 132' ' ' ASN . 12.4 mt -113.75 -56.45 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' ' 133' ' ' LEU . 13.3 p -51.39 147.45 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.477 ' HG2' HG23 ' A' ' 106' ' ' THR . 34.6 mt-10 -117.88 133.17 56.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -93.54 165.06 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.75 -55.08 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.1 p 40.46 86.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -122.19 -160.26 10.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 128.2 11.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 12.6 t 67.2 147.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.48 121.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.45 1.093 . . . . 0.0 110.963 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.39 110.65 3.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 p -174.47 137.46 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.35 166.83 36.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.67 97.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -173.54 147.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.4 -149.79 3.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.79 110.02 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -153.1 146.97 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -164.12 -45.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 160.63 39.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.78 150.94 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.77 157.42 71.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -166.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.47 -30.96 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -115.63 150.39 36.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.82 HG13 HD13 ' A' ' 31' ' ' LEU . 8.3 p -91.08 177.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.731 ' H ' HG22 ' A' ' 17' ' ' VAL . 8.1 mmtp -123.97 163.14 21.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.86 HG12 HD11 ' A' ' 133' ' ' LEU . 57.7 t -64.13 -49.05 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -64.77 -10.03 24.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.75 2.31 53.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 90.4 mt -79.66 150.34 30.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 5.2 mttt -158.74 157.47 28.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 141.62 26.64 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.89 10.57 56.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.2 p -118.18 158.33 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p -146.58 179.32 7.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.438 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 39.39 92.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -122.58 161.22 24.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.588 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -141.27 109.73 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.82 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -155.47 171.09 20.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 HG13 ' A' ' 94' ' ' ILE . 25.0 m -106.02 106.98 17.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.7 m -101.75 134.43 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HD3' HD13 ' A' ' 36' ' ' ILE . 1.3 tttt -108.4 120.51 42.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.5 t -64.42 144.95 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.628 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -120.57 -50.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -135.33 159.76 40.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -150.32 104.78 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.681 ' C ' HG13 ' A' ' 64' ' ' VAL . 6.5 m120 -138.95 146.27 40.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.744 HG22 HG22 ' A' ' 64' ' ' VAL . 50.2 pt -55.56 158.05 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 41' ' ' VAL . 34.6 m -78.53 113.74 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -97.31 155.48 37.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.59 7.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.81 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 45' ' ' THR . 9.1 p -170.78 -49.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.448 ' N ' HG13 ' A' ' 44' ' ' VAL . 12.4 t -172.49 -41.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -87.67 104.18 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.13 170.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.687 ' O ' HG22 ' A' ' 48' ' ' THR . 5.4 m 50.48 42.98 27.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.371 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.496 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -65.24 -51.74 51.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.99 -170.97 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.96 147.11 24.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m 59.63 114.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -67.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 96.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.66 32.66 4.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.68 149.02 11.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 74.19 4.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 76.5 p -141.29 148.8 40.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -48.05 151.12 1.81 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 127.71 10.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.43 89.75 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 107.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm -111.04 131.03 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.744 HG22 HG22 ' A' ' 40' ' ' ILE . 72.8 t -136.29 139.0 46.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -87.78 126.94 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -125.69 150.95 47.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.251 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.48 119.91 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.904 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.64 152.8 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.466 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 169.96 -164.28 37.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.571 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 3.9 t70 -135.07 -179.51 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 72' ' ' THR . 14.8 pt-20 -44.7 -33.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.418 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 11.5 p -62.15 -78.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.6 -173.09 19.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.411 ' CA ' HG11 ' A' ' 19' ' ' VAL . 13.8 p -140.07 164.09 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.804 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -143.99 163.61 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -89.76 102.02 14.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.598 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.9 t80 -104.4 144.85 31.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.594 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 40.9 m -100.0 132.4 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.737 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -118.76 132.89 56.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.439 ' C ' ' N ' ' A' ' 82' ' ' ASP . 6.2 mtt180 -72.5 164.94 25.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.549 ' O ' HG12 ' A' ' 84' ' ' VAL . 7.4 p-10 -46.49 -23.67 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.439 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -87.89 -63.38 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' LEU . 15.0 mt-30 -52.22 -36.61 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.6 p -39.54 -42.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.01 -50.95 71.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.922 HD22 ' HB2' ' A' ' 119' ' ' ALA . 4.9 mt -63.07 -42.16 99.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.904 ' CE ' HG21 ' A' ' 68' ' ' ILE . 54.4 mmm -80.95 50.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -82.02 151.46 66.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.482 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.02 132.93 15.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.54 23.66 53.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.37 161.5 29.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.492 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 63.3 m -116.66 129.47 56.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.87 HG12 ' HA ' ' A' ' 119' ' ' ALA . 31.1 m -141.0 155.38 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.469 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 31.5 mt -110.9 151.84 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.772 HD22 ' CD2' ' A' ' 109' ' ' LEU . 1.8 mp -116.1 118.26 32.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 128.79 56.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 t30 69.2 22.47 6.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.477 ' CB ' HD23 ' A' ' 95' ' ' LEU . 88.9 p -70.44 133.14 46.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.74 157.74 18.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.2 mm -107.59 125.54 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.64 126.08 40.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.52 96.76 4.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 106' ' ' THR . 6.0 t80 -85.15 156.84 20.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.81 97.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.894 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.83 42.57 92.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -175.18 -179.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.44 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -150.46 166.19 30.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -150.67 163.72 37.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.772 ' CD2' HD22 ' A' ' 95' ' ' LEU . 29.2 tp -97.02 135.82 38.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.41 170.27 30.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.476 HG13 ' C ' ' A' ' 115' ' ' GLY . 2.1 t -130.67 112.47 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -68.85 176.15 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -20.14 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -94.34 22.2 6.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 108.004 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.476 ' C ' HG13 ' A' ' 111' ' ' VAL . . . -143.05 143.43 12.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -136.3 154.7 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 110.262 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.423 ' HB ' HD13 ' A' ' 86' ' ' LEU . 5.7 mt -77.36 155.52 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.692 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -97.54 -59.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.922 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 85.05 44.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 93' ' ' VAL . 1.8 t -47.83 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.441 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -63.04 -98.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.65 168.46 15.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.492 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -94.52 125.47 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.1 p -92.7 8.67 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.571 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.9 p90 -126.2 160.18 30.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 97.3 m -104.17 112.2 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.628 HG21 HD11 ' A' ' 36' ' ' ILE . 43.0 t -56.28 141.68 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 8.9 tttp -98.49 96.48 8.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.33 56.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -146.32 -46.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.404 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 11.3 t-20 -85.61 64.6 8.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.861 ' CB ' HD13 ' A' ' 135' ' ' LEU . 1.1 m120 -82.09 138.28 34.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.86 HD11 HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -107.31 10.06 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.7 ' C ' HD12 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -107.2 1.47 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.861 HD13 ' CB ' ' A' ' 132' ' ' ASN . 0.6 OUTLIER -107.25 -68.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 137' ' ' GLU . 14.9 p -44.88 166.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.483 ' N ' HG22 ' A' ' 136' ' ' VAL . 41.9 mt-10 -132.19 137.4 47.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -95.83 163.89 12.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -81.34 118.68 22.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.0 167.45 22.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 96.23 150.04 26.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.63 5.88 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.1 p -53.36 108.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.8 t -156.74 107.21 2.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.12 170.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -137.95 172.56 12.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.98 143.07 7.9 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.73 136.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.803 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -176.94 169.0 2.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.26 -165.45 10.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' A' ' 9' ' ' THR . 57.9 p -161.34 131.15 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 8' ' ' SER . 9.8 t -175.15 141.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p 179.37 128.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.67 170.33 8.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -140.81 76.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -120.47 154.88 56.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.9 41.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 16' ' ' PHE . 78.2 t -124.71 -83.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.449 ' O ' ' O ' ' A' ' 15' ' ' VAL . 51.4 m-85 56.92 152.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.861 HG13 HD13 ' A' ' 31' ' ' LEU . 9.2 p -94.83 -178.25 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.798 ' H ' HG22 ' A' ' 17' ' ' VAL . 4.6 mmtm -126.13 170.66 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.786 HG12 HD11 ' A' ' 133' ' ' LEU . 90.5 t -73.52 -39.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.32 -5.0 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -97.04 -8.17 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.559 HD13 HD11 ' A' ' 100' ' ' ILE . 73.2 mt -70.42 140.64 52.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -137.79 160.22 65.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.575 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.4 Cg_endo -74.97 55.51 3.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.464 ' C ' HG23 ' A' ' 26' ' ' THR . . . 166.67 62.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 71.3 p -153.03 147.55 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 28' ' ' GLY . 19.0 p -133.79 168.12 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 42.79 95.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.9 m-70 -122.77 159.26 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.569 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.5 m -140.54 104.75 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.861 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -152.09 167.08 29.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.715 HG23 HG13 ' A' ' 94' ' ' ILE . 2.9 m -102.49 107.84 18.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.9 m -103.59 134.24 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.581 ' HG3' ' HB2' ' A' ' 123' ' ' ALA . 10.0 tttt -107.1 120.01 40.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 91' ' ' ALA . 2.4 t -65.09 146.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.498 HD13 ' HD3' ' A' ' 34' ' ' LYS . 1.8 mm -120.91 -47.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 6.1 mt-10 -138.22 163.52 31.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.56 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -155.38 107.48 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.591 ' C ' HG13 ' A' ' 64' ' ' VAL . 5.9 m120 -138.98 145.47 39.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.503 HG22 HG22 ' A' ' 64' ' ' VAL . 50.0 pt -52.37 158.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG22 ' CD ' ' A' ' 65' ' ' GLU . 4.1 t -77.65 100.95 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -95.61 159.06 33.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' C ' HG12 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -74.97 170.78 19.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 43' ' ' PRO . 7.7 p 41.51 65.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 6.7 t -135.89 171.86 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 63.62 -76.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' THR . 0.0 OUTLIER -165.15 -49.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.1 p -55.6 156.6 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -88.64 169.34 13.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.07 6.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 59.14 172.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.26 121.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 t 62.54 81.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.27 75.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.2 m -150.21 177.75 9.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 54.68 86.78 0.16 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 58' ' ' SER . 18.1 Cg_endo -75.0 -47.27 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 57' ' ' PRO . 1.4 t 83.58 -58.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.7 153.09 22.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 66.82 6.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -89.96 86.86 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.68 98.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.431 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.4 mm -100.19 126.93 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.591 HG13 ' C ' ' A' ' 39' ' ' ASN . 78.5 t -127.58 140.19 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' CD ' HG22 ' A' ' 41' ' ' VAL . 19.6 mt-10 -90.63 124.61 35.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 5.1 m -123.58 152.12 42.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 31.6 tp -100.88 120.68 40.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.94 HG21 ' HE1' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.38 153.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.593 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 171.31 -175.67 44.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD1' ' CD1' ' A' ' 125' ' ' PHE . 11.1 t0 -129.14 -178.83 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.11 -27.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.456 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 9.3 p -69.97 -79.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.14 -172.5 18.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.424 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 27.7 p -140.44 168.27 20.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.611 ' CD1' HD11 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -149.38 163.55 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 134' ' ' SER . 0.0 OUTLIER -87.09 101.84 13.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.882 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.7 t80 -101.42 143.28 31.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 30.1 m -102.12 126.51 49.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.443 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -117.63 133.27 56.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.2 mtt180 -72.6 169.69 16.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.421 ' O ' HG12 ' A' ' 84' ' ' VAL . 65.6 t30 -48.67 -22.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -89.84 -59.51 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -53.56 -40.31 65.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.9 p -38.59 -46.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -54.95 -56.09 23.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.884 HD22 ' HB2' ' A' ' 119' ' ' ALA . 13.0 mt -63.84 -30.32 71.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.94 ' HE1' HG21 ' A' ' 68' ' ' ILE . 60.4 mmm -95.67 43.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -76.17 155.66 84.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 134.56 17.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.7 22.74 63.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -128.01 154.1 46.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.828 HG21 ' HA ' ' A' ' 123' ' ' ALA . 96.4 m -110.52 137.12 48.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.701 ' HA ' HG22 ' A' ' 120' ' ' THR . 15.1 m -148.54 162.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.715 HG13 HG23 ' A' ' 32' ' ' THR . 16.4 mt -113.0 155.15 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.882 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.5 mp -120.01 113.85 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -108.39 127.87 54.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.83 19.22 3.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.4 p -69.62 128.42 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 154.86 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.559 HD11 HD13 ' A' ' 22' ' ' LEU . 19.1 mm -99.78 124.28 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.9 125.35 39.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.478 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -77.87 109.33 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 104' ' ' LYS . 16.6 t80 -99.82 158.27 15.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.56 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 40.7 mtmt -40.61 97.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 106' ' ' THR . . . 55.2 42.41 82.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -172.64 179.48 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.385 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -153.16 167.86 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.078 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -153.84 166.47 32.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.454 HD13 HD11 ' A' ' 100' ' ' ILE . 15.2 tp -95.49 137.45 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.41 178.31 27.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.429 ' CG1' ' C ' ' A' ' 115' ' ' GLY . 59.4 t -136.55 133.56 49.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.23 175.27 10.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.405 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -64.24 -26.7 68.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.405 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 25.1 m95 -89.67 9.83 25.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.429 ' C ' ' CG1' ' A' ' 111' ' ' VAL . . . -125.43 142.63 13.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.55 163.09 33.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.438 ' HB ' HD13 ' A' ' 86' ' ' LEU . 50.0 mt -78.17 157.29 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.4 tt0 -102.91 -46.18 4.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.884 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 75.05 63.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.815 HG21 HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -38.21 -88.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.654 ' H ' HG23 ' A' ' 120' ' ' THR . . . 161.97 -34.84 0.36 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -159.72 149.86 18.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.828 ' HA ' HG21 ' A' ' 92' ' ' THR . . . -74.8 -67.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 1.1 m 85.29 -8.82 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.489 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 3.8 p90 -127.48 156.31 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.9 m -93.85 109.99 21.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 69' ' ' GLY . 76.1 t -62.31 148.0 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 130' ' ' ASP . 1.4 ttpt -96.03 80.28 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.78 62.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -160.11 -43.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -83.52 50.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.985 ' HB3' HD21 ' A' ' 135' ' ' LEU . 54.4 t-20 -72.4 143.82 48.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.786 HD11 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.29 22.17 14.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.717 ' C ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -103.99 -1.93 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.985 HD21 ' HB3' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -113.12 -41.27 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 133' ' ' LEU . 7.3 p -54.82 143.7 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.43 ' HG2' HG23 ' A' ' 106' ' ' THR . 36.3 mt-10 -116.81 132.99 56.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.575 ' CD2' ' HG3' ' A' ' 24' ' ' PRO . 19.0 m-85 -96.85 179.43 4.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 138' ' ' TYR . 0.6 OUTLIER 37.65 76.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.5 t -111.85 119.16 37.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -122.75 176.48 16.55 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.94 34.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.67 81.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 m -174.72 164.63 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 111.039 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 p -169.99 156.28 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 0.807 . . . . 0.0 109.948 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -167.59 171.23 10.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.64 -165.38 15.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.5 171.92 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.34 172.28 7.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.36 -157.77 7.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.1 108.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.045 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.2 t -168.41 127.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.5 m -135.81 34.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.36 157.24 36.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.98 79.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -159.44 157.3 26.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -173.52 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.32 -31.68 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CE2' HG22 ' A' ' 30' ' ' THR . 4.6 m-85 -103.65 162.17 13.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.544 HG23 HD13 ' A' ' 31' ' ' LEU . 3.1 m -103.7 -169.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.573 ' C ' HD12 ' A' ' 31' ' ' LEU . 5.4 mttm -130.05 -176.85 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.807 HG12 HD11 ' A' ' 133' ' ' LEU . 91.3 t -76.59 -44.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -69.48 -7.04 34.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -3.88 51.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.8 mt -81.53 150.81 28.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.46 164.3 15.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.94 10.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.52 26.95 5.43 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 27' ' ' THR . 42.5 p -132.71 162.37 31.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 26' ' ' THR . 2.6 p -153.05 168.23 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.78 93.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -122.62 160.42 25.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.605 HG22 ' CE2' ' A' ' 16' ' ' PHE . 2.9 m -136.6 112.15 9.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -160.06 164.98 32.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.799 HG23 HG13 ' A' ' 94' ' ' ILE . 1.1 m -98.27 115.14 27.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.82 136.84 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -110.16 120.86 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.5 t -66.94 143.95 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.584 HD11 HG21 ' A' ' 127' ' ' VAL . 2.1 mm -118.04 -48.98 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.9 mt-10 -137.51 159.04 43.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -150.24 107.97 3.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.706 ' C ' HG13 ' A' ' 64' ' ' VAL . 11.2 m-80 -139.27 152.59 47.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.0 pt -54.8 156.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG12 ' CG ' ' A' ' 65' ' ' GLU . 21.5 m -78.57 114.06 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -119.58 155.99 53.9 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.235 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 110.1 3.05 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.27 -66.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.96 55.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 76' ' ' LEU . 2.6 ttm105 177.61 112.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.56 133.91 53.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 49' ' ' ARG . 68.1 p -92.6 -133.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER 165.33 -53.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.2 Cg_endo -75.01 64.29 6.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.23 73.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.255 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 t -177.93 103.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.92 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.0 149.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 m -157.85 -55.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -162.15 158.92 21.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' GLN . 18.4 Cg_endo -75.04 -164.13 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.5 -85.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -114.87 151.63 45.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 64.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER 43.61 83.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -46.58 95.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' SER . 1.8 mm -92.72 126.57 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.706 HG13 ' C ' ' A' ' 39' ' ' ASN . 70.0 t -130.24 139.26 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.583 ' CG ' HG12 ' A' ' 41' ' ' VAL . 10.2 mt-10 -91.97 116.05 28.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.7 m -113.53 151.45 31.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.346 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.576 HD13 ' OE2' ' A' ' 129' ' ' GLU . 3.4 tt -101.12 118.41 36.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.833 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -130.75 154.99 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.55 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 171.81 -165.19 37.98 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.603 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -136.76 -179.24 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -46.91 -38.57 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 p -59.85 -82.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.21 -172.17 12.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.588 ' SG ' HG13 ' A' ' 127' ' ' VAL . 2.2 m -143.58 161.26 38.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -148.04 164.14 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 6.2 mt -88.09 122.46 31.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CE2' HD21 ' A' ' 95' ' ' LEU . 8.4 t80 -122.11 137.05 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.9 m -92.12 125.3 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -112.08 129.71 56.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.457 ' C ' ' N ' ' A' ' 82' ' ' ASP . 13.7 mtt-85 -72.88 164.48 26.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.536 ' O ' HG12 ' A' ' 84' ' ' VAL . 4.3 t-20 -44.32 -25.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.457 ' N ' ' C ' ' A' ' 80' ' ' ARG . 35.5 t0 -87.07 -63.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' LEU . 20.1 mt-30 -52.6 -41.62 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.9 p -36.84 -42.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -59.25 -56.42 22.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.958 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.9 mt -64.08 -32.54 74.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.833 ' CE ' HG21 ' A' ' 68' ' ' ILE . 57.2 mmm -88.01 40.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.459 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -76.27 157.67 82.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.436 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.05 132.96 15.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.34 28.05 56.47 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.63 153.79 46.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 123' ' ' ALA . 15.8 m -107.75 130.36 54.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.421 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.609 HG11 ' O ' ' A' ' 86' ' ' LEU . 35.0 m -145.83 156.49 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.799 HG13 HG23 ' A' ' 32' ' ' THR . 9.5 mt -112.5 153.38 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' A' ' 77' ' ' PHE . 3.1 mp -112.53 115.98 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 9.2 mtp180 -112.7 118.85 36.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER 76.42 33.02 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -79.11 138.3 37.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -111.33 161.1 16.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 mm -112.23 121.3 64.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 107' ' ' MET . 0.5 OUTLIER -94.72 124.63 38.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -78.39 94.84 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 106' ' ' THR . 9.7 t80 -81.56 157.49 24.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -40.92 97.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.883 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.05 44.34 94.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.883 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -175.65 -179.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.356 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 0.9 OUTLIER -154.65 153.51 31.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 25.0 mtm105 -138.98 166.94 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.724 ' HB3' HD11 ' A' ' 75' ' ' ILE . 22.2 tp -96.69 137.92 35.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.69 163.92 30.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.496 HG13 ' C ' ' A' ' 115' ' ' GLY . 2.4 t -121.38 114.12 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.21 175.77 3.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -63.7 -20.58 65.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.412 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 10.6 m95 -95.33 20.98 8.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.017 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.496 ' C ' HG13 ' A' ' 111' ' ' VAL . . . -141.83 148.37 20.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -144.99 173.75 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.326 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 51.1 mt -94.82 157.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.658 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 16.2 tp10 -100.99 -47.12 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.958 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 82.44 47.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.469 HG22 ' CA ' ' A' ' 93' ' ' VAL . 1.7 t -48.55 171.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -60.53 -106.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.08 155.01 39.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.612 ' HB2' HG23 ' A' ' 92' ' ' THR . . . -79.9 142.23 35.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.12 8.91 21.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.603 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 5.3 p90 -124.54 158.78 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 87.1 m -99.67 108.65 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.588 HG13 ' SG ' ' A' ' 74' ' ' CYS . 49.8 t -56.25 128.48 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.442 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 7.1 tttp -90.67 95.62 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.576 ' OE2' HD13 ' A' ' 67' ' ' LEU . 3.7 mt-10 -77.65 53.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.82 -44.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.442 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 12.3 t-20 -86.89 46.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.883 ' CB ' HD13 ' A' ' 135' ' ' LEU . 1.3 m120 -64.14 142.85 58.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.807 HD11 HG12 ' A' ' 19' ' ' VAL . 1.3 mt -108.74 4.42 23.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.715 ' C ' HD12 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -100.85 2.46 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.883 HD13 ' CB ' ' A' ' 132' ' ' ASN . 0.6 OUTLIER -108.72 -66.24 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.513 ' O ' HG22 ' A' ' 106' ' ' THR . 16.3 t -41.21 151.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.414 ' HA ' HG23 ' A' ' 106' ' ' THR . 54.7 mt-10 -115.52 126.83 54.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.495 ' CD2' ' HA ' ' A' ' 106' ' ' THR . 2.9 m-85 -105.17 125.83 51.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.92 141.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.07 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 85.48 167.99 44.11 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 158.82 41.73 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.471 1.774 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.02 167.9 9.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 36.2 p -160.18 124.65 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -177.08 139.86 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.51 149.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.56 156.34 8.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -170.41 167.43 8.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.06 161.57 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.92 144.77 17.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -176.2 166.41 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.9 t -165.18 166.91 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 9' ' ' THR . 64.4 t -156.96 71.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -73.87 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 65.02 82.1 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.74 154.21 65.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -166.76 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.3 t -77.52 -29.11 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.798 ' CE2' HG22 ' A' ' 30' ' ' THR . 4.5 m-85 -103.1 172.71 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.54 -170.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.575 ' C ' HD12 ' A' ' 31' ' ' LEU . 8.2 mttm -133.72 176.36 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.762 HG12 HD11 ' A' ' 133' ' ' LEU . 98.2 t -71.76 -45.94 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -6.63 30.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.93 10.11 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.7 mt -86.95 148.15 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.07 168.05 7.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HD3' ' CE2' ' A' ' 138' ' ' TYR . 18.2 Cg_endo -75.06 155.38 42.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.18 16.51 78.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 27' ' ' THR . 43.9 p -117.56 159.46 22.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 26' ' ' THR . 5.9 p -156.5 174.16 15.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.11 78.34 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.3 m-70 -105.58 157.8 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.593 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.798 HG22 ' CE2' ' A' ' 16' ' ' PHE . 15.9 m -139.5 107.51 5.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.575 HD12 ' C ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -153.92 164.18 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.735 HG23 HG13 ' A' ' 94' ' ' ILE . 34.8 m -99.84 114.85 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.0 m -110.04 131.44 61.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 5.4 tttt -103.73 121.87 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.571 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -66.0 146.87 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.483 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -121.35 -51.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 8.9 mt-10 -139.65 158.7 43.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -145.61 109.82 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.674 ' C ' HG13 ' A' ' 64' ' ' VAL . 26.3 m-80 -138.92 147.2 42.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.0 pt -51.7 156.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' CD ' ' A' ' 65' ' ' GLU . 79.5 t -77.94 115.56 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' CG2' ' A' ' 45' ' ' THR . 18.2 m -86.27 154.29 57.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' THR . 18.3 Cg_endo -75.03 -172.68 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.9 t 66.29 -74.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.505 ' CG2' HG23 ' A' ' 42' ' ' VAL . 4.3 t -74.24 137.0 42.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.14 89.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' HD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER 50.83 -173.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.7 m -104.02 -44.9 4.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CB ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER 166.07 -53.76 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -75.0 111.85 3.42 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HB2' ' HD2' ' A' ' 47' ' ' LYS . . . -172.5 53.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.1 158.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 p 177.65 118.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 57.21 176.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -95.4 77.98 3.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 55' ' ' SER . 0.3 OUTLIER 162.71 106.24 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 58' ' ' SER . 18.5 Cg_endo -74.94 177.56 8.41 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.529 1.805 . . . . 0.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 57' ' ' PRO . 0.3 OUTLIER 81.58 -58.59 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.943 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -51.39 150.64 6.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.225 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.04 87.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.067 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 101.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm -98.45 131.93 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.674 HG13 ' C ' ' A' ' 39' ' ' ASN . 89.5 t -133.18 139.38 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.727 ' CD ' HG22 ' A' ' 41' ' ' VAL . 35.1 mt-10 -92.81 121.64 34.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -116.74 142.71 46.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 67' ' ' LEU . 14.5 tp -88.12 121.88 31.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.876 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -135.87 153.51 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.684 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 173.32 -165.64 37.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.592 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 1.9 t70 -137.42 -179.72 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.12 -27.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.0 p -70.66 -75.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.44 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.66 -172.45 24.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.428 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 15.7 p -135.98 171.96 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.602 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.0 163.23 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -85.5 100.81 12.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 78' ' ' THR . 2.2 t80 -105.17 149.08 26.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.606 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 16.3 m -108.12 132.91 53.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.699 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -120.56 136.1 54.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.4 mpp_? -76.41 170.65 15.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 84' ' ' VAL . 30.2 p30 -48.01 -23.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -87.32 -61.03 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.5 mt-30 -54.63 -44.79 73.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.4 p -37.8 -43.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.12 -54.09 50.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.868 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.6 mt -63.76 -43.64 95.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.876 ' CE ' HG21 ' A' ' 68' ' ' ILE . 55.0 mmm -76.5 54.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -84.0 151.0 59.75 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.97 132.7 15.76 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.515 1.798 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.59 24.75 52.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.63 170.71 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.587 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 85.0 m -124.12 130.71 53.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.854 HG12 ' HA ' ' A' ' 119' ' ' ALA . 17.5 m -141.29 159.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.735 HG13 HG23 ' A' ' 32' ' ' THR . 3.7 mt -115.16 154.01 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.819 HD22 HD21 ' A' ' 109' ' ' LEU . 2.3 mp -114.82 131.5 56.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -125.68 140.01 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 58.03 20.76 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 29' ' ' HIS . 85.9 p -68.26 141.85 55.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -118.91 153.88 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.1 mm -103.33 122.91 56.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.28 126.09 39.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -71.86 104.1 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.0 t80 -92.1 158.86 15.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.7 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.768 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.11 31.36 58.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.7 p -161.9 -174.82 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.497 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -149.08 173.22 13.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.0 mtm105 -155.39 163.68 39.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.819 HD21 HD22 ' A' ' 95' ' ' LEU . 25.1 tp -97.33 135.75 38.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.36 -179.27 26.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.475 HG13 ' C ' ' A' ' 115' ' ' GLY . 2.2 t -138.44 121.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.01 174.8 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.408 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -60.43 -23.32 64.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.408 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 40.9 m95 -95.27 22.04 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 108.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.475 ' C ' HG13 ' A' ' 111' ' ' VAL . . . -136.57 144.01 15.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -143.31 156.22 44.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.6 mt -77.53 156.72 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -98.84 -50.64 4.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.868 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 80.48 45.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.491 HG22 ' CA ' ' A' ' 93' ' ' VAL . 3.7 t -45.89 170.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -60.22 -100.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.48 163.61 22.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.587 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -91.05 123.82 34.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.0 m -92.8 0.97 57.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.058 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.9 p90 -117.64 163.86 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.1 m -106.4 112.49 25.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 34' ' ' LYS . 54.7 t -58.32 143.88 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -90.82 85.58 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.22 61.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -167.35 -42.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -82.46 49.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.988 ' HB3' HD21 ' A' ' 135' ' ' LEU . 54.7 t-20 -73.27 145.53 46.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.762 HD11 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.62 14.06 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.722 ' C ' HD13 ' A' ' 135' ' ' LEU . 0.8 OUTLIER -94.1 -2.12 53.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 109.991 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.988 HD21 ' HB3' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -116.57 -38.36 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 133' ' ' LEU . 9.8 p -53.44 140.77 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 32.7 mt-10 -105.06 131.06 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.434 ' CE2' ' HD3' ' A' ' 24' ' ' PRO . 10.6 m-30 -91.93 41.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -139.94 151.55 45.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 72.2 m -56.16 120.22 7.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.966 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 143.0 124.22 1.86 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 172.98 15.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.047 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.6 t -179.26 130.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 35.4 t 40.27 90.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -170.24 124.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.1 151.06 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.36 -108.27 0.36 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t 61.63 87.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 109.982 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.94 165.69 4.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.58 152.15 7.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.93 139.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.6 m -113.43 149.76 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.87 47.71 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -70.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 61.2 97.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp 64.34 153.41 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.76 41.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 16' ' ' PHE . 53.4 t -109.86 -83.87 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.438 ' O ' ' O ' ' A' ' 15' ' ' VAL . 9.5 m-85 56.46 156.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.867 HG13 HD13 ' A' ' 31' ' ' LEU . 9.2 p -102.8 -179.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.771 ' H ' HG22 ' A' ' 17' ' ' VAL . 5.7 mmtt -123.32 167.43 13.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.81 HG12 HD11 ' A' ' 133' ' ' LEU . 97.1 t -67.13 -55.11 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' OE2' HG22 ' A' ' 72' ' ' THR . 10.8 pt-20 -59.46 -14.4 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -11.02 58.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.9 mt -70.91 150.04 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -159.94 170.17 9.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.5 Cg_endo -74.96 137.49 21.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.433 1.754 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.63 36.71 9.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 27' ' ' THR . 76.5 p -130.04 155.26 46.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' THR . 7.4 p -152.86 165.4 35.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.08 92.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.4 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 95.0 m-70 -122.35 161.03 24.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -141.29 110.35 6.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.867 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -156.57 170.39 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.62 HG23 HG13 ' A' ' 94' ' ' ILE . 10.8 m -105.72 109.37 21.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.26 137.73 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.36 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -111.06 118.01 34.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.606 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.7 t -65.84 145.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.855 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -121.21 -49.44 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -134.39 166.45 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -156.8 105.92 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.696 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -125.33 141.66 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.625 ' HA ' HG22 ' A' ' 64' ' ' VAL . 22.5 pt -51.85 158.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.836 HG21 HG22 ' A' ' 63' ' ' ILE . 30.6 t -77.7 98.53 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.442 HG13 HG13 ' A' ' 40' ' ' ILE . 30.5 m -109.52 157.8 36.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' O ' HG23 ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.04 175.59 11.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.809 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.637 ' O ' HG22 ' A' ' 44' ' ' VAL . 0.2 OUTLIER 40.58 84.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 43' ' ' PRO . 60.8 p -141.88 -87.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' CZ ' ' HG ' ' A' ' 76' ' ' LEU . 1.2 mtm180 -84.33 75.89 10.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.23 92.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 t -175.89 64.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.423 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' CB ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -52.86 -53.51 53.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.586 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.01 -66.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 50' ' ' PRO . . . 76.87 89.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -44.21 99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.71 131.89 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.84 154.14 33.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 m 61.86 171.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -48.23 149.67 2.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.37 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 m -105.73 97.53 7.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -87.7 150.52 48.5 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 61' ' ' SER . 18.4 Cg_endo -74.99 84.06 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 60' ' ' PRO . 1.5 m 162.19 86.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.53 111.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.836 HG22 HG21 ' A' ' 41' ' ' VAL . 2.5 mm -112.25 127.48 69.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.696 HG13 ' C ' ' A' ' 39' ' ' ASN . 81.2 t -134.54 138.0 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.451 ' CD ' HG22 ' A' ' 41' ' ' VAL . 4.0 mt-10 -87.64 133.8 33.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -131.19 147.83 52.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 108.337 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD21 ' CB ' ' A' ' 74' ' ' CYS . 5.4 tt -94.82 114.08 25.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.937 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.79 152.56 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.488 ' CA ' HG21 ' A' ' 19' ' ' VAL . . . 170.19 -156.39 26.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.532 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 3.5 t70 -136.48 -179.25 5.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 72' ' ' THR . 5.9 pt-20 -48.53 -30.76 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.432 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 17.5 p -62.33 -72.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.19 -172.63 22.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.592 ' CB ' HD21 ' A' ' 67' ' ' LEU . 1.1 p -137.56 155.7 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.719 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -134.11 163.37 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.872 ' C ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -93.67 99.85 12.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.633 ' CE2' HD21 ' A' ' 95' ' ' LEU . 16.1 t80 -103.13 150.38 23.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.599 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 24.9 m -106.2 131.84 52.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.782 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -120.9 133.96 55.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -73.17 170.86 14.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -48.51 -23.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 8.6 m-20 -89.93 -58.98 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -54.23 -41.95 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.7 p -38.36 -47.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.462 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.9 OUTLIER -53.92 -53.96 45.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.904 HD22 ' HB2' ' A' ' 119' ' ' ALA . 2.8 mt -63.7 -38.21 90.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.937 ' CE ' HG21 ' A' ' 68' ' ' ILE . 65.1 mmm -86.03 42.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.453 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -77.38 157.47 80.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.56 15.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.43 24.53 53.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -129.94 148.82 51.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.556 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 36.8 m -109.82 129.82 55.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.868 HG12 ' HA ' ' A' ' 119' ' ' ALA . 34.4 m -140.4 153.23 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.62 HG13 HG23 ' A' ' 32' ' ' THR . 57.6 mt -105.49 153.76 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.863 HD22 HD21 ' A' ' 109' ' ' LEU . 1.9 mp -118.82 116.0 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.44 133.24 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 t30 63.32 27.38 15.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.613 ' HB2' HD11 ' A' ' 109' ' ' LEU . 46.9 p -73.92 127.45 32.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.967 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.52 160.28 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 109' ' ' LEU . 13.9 mm -108.67 124.79 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.13 125.97 40.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' A' ' 24' ' ' PRO . 7.6 tpt -73.16 105.14 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 105' ' ' GLY . 4.8 t80 -93.5 159.42 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.24 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.785 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.22 36.03 56.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.1 p -162.26 179.91 7.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.575 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.3 ptt? -151.22 154.23 36.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.414 ' HG3' ' C ' ' A' ' 107' ' ' MET . 37.0 mtt85 -142.18 166.33 25.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.863 HD21 HD22 ' A' ' 95' ' ' LEU . 66.6 tp -95.65 136.87 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.47 173.37 30.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.538 HG13 ' HA3' ' A' ' 115' ' ' GLY . 62.8 t -133.92 129.22 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -81.45 176.22 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -23.78 66.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -90.69 13.21 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 108.027 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.538 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -132.04 144.66 16.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -142.14 158.22 43.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.8 mt -77.18 156.66 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 17.6 tt0 -96.81 -61.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.904 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 85.07 42.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.5 OUTLIER -35.62 -59.46 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.594 ' H ' HG23 ' A' ' 120' ' ' THR . . . 147.48 -76.09 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.46 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.49 164.9 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.556 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -111.82 162.61 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -117.53 7.28 12.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.532 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.2 p90 -122.92 159.21 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 64.6 m -102.13 113.53 26.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.855 HG21 HD11 ' A' ' 36' ' ' ILE . 55.2 t -54.14 142.17 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.42 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 8.7 ttpt -104.25 97.76 7.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.55 -1.83 23.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.74 -23.52 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.42 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 13.0 t-20 -121.17 82.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.412 ' C ' HD23 ' A' ' 133' ' ' LEU . 5.7 t-20 -96.6 133.08 41.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.81 HD11 HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -93.81 -3.7 51.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 76' ' ' LEU . 13.1 p -81.48 -9.83 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.056 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.69 -31.15 6.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.749 ' O ' HG22 ' A' ' 106' ' ' THR . 3.6 t -46.36 164.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.507 ' N ' ' CG1' ' A' ' 136' ' ' VAL . 54.9 mt-10 -145.81 127.92 15.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.575 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 23.0 m-30 -107.15 43.31 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.01 97.8 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.65 104.09 15.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -106.68 124.17 7.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 59.67 5.24 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t 41.06 87.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 7.8 p -129.69 140.08 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.3 130.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -169.41 126.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.64 131.89 2.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.89 132.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.32 125.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.37 132.83 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 t -168.96 162.68 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m 60.83 113.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 10' ' ' VAL . 14.7 p -163.31 58.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -103.32 162.88 12.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -155.18 100.24 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -171.59 159.41 4.85 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -165.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -95.67 -148.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 15' ' ' VAL . 28.6 m-85 53.53 168.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -112.58 -171.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 5.6 mttm -134.24 170.31 15.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.772 HG12 HD11 ' A' ' 133' ' ' LEU . 82.3 t -66.45 -44.1 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.21 -8.26 37.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 1.03 54.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -82.86 153.55 25.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -166.47 170.63 5.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.581 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.2 Cg_endo -75.02 133.06 16.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.78 41.87 5.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 70.8 p -136.71 151.24 49.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -146.92 171.38 15.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.09 93.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 92.6 m-70 -122.14 155.22 36.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 0.737 . . . . 0.0 109.583 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 3.2 m -134.52 112.13 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -160.68 161.52 32.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.723 HG23 HG21 ' A' ' 120' ' ' THR . 31.9 m -98.48 108.78 21.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -101.68 137.85 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -109.79 122.42 47.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.598 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -68.58 146.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -121.42 -50.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.4 mt-10 -133.77 160.48 37.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -154.71 106.24 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.712 ' C ' HG13 ' A' ' 64' ' ' VAL . 19.8 m-80 -138.98 151.08 46.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 pt -51.97 156.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 41' ' ' VAL . 15.0 m -77.97 86.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG23 ' OG1' ' A' ' 45' ' ' THR . 0.8 OUTLIER -47.83 157.83 0.58 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.04 152.29 40.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.798 ' O ' HG23 ' A' ' 45' ' ' THR . 16.0 m 37.99 73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -163.65 87.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttm105 57.5 69.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.41 153.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 48' ' ' THR . 7.8 t -157.5 64.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.54 140.61 0.27 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -172.46 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.36 -173.36 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.73 170.27 12.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.03 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -164.89 136.2 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.88 158.24 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m 73.35 126.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.18 95.05 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 61.32 5.66 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 p -124.02 90.8 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 64.43 153.62 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 62' ' ' ARG . 18.2 Cg_endo -75.0 162.76 36.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.21 77.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -47.37 103.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mm -104.82 130.71 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.712 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.1 t -138.65 138.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.729 ' HB3' HD11 ' A' ' 76' ' ' LEU . 81.9 mt-10 -89.11 134.94 33.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -133.52 144.58 49.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.559 HD21 ' SG ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -92.29 118.58 31.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.931 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.73 153.53 36.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.54 ' O ' HG22 ' A' ' 127' ' ' VAL . . . 165.47 -166.11 38.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.466 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 17.0 t0 -125.81 -179.61 4.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -46.07 -35.39 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.8 p -56.86 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.17 -173.15 18.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.093 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.559 ' SG ' HD21 ' A' ' 67' ' ' LEU . 1.6 p -138.13 171.86 13.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.652 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -152.38 162.82 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -89.9 101.64 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.666 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.7 t80 -104.86 139.1 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 36.7 m -94.75 130.73 41.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -118.42 134.86 54.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -73.66 172.37 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -52.66 -20.2 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -93.0 -55.02 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.96 -43.13 91.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLN . 4.1 p -38.24 -38.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.08 -56.43 16.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.842 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.8 mt -63.78 -24.8 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.931 ' CE ' HG21 ' A' ' 68' ' ' ILE . 55.9 mmm -96.01 38.3 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.69 155.72 88.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.446 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.04 132.28 15.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.09 21.43 59.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -123.87 152.37 42.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.574 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 62.1 m -110.56 127.79 55.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.883 HG12 ' HA ' ' A' ' 119' ' ' ALA . 29.1 m -140.98 156.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.682 HG13 HG23 ' A' ' 32' ' ' THR . 8.6 mt -111.3 157.34 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.666 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.8 mp -118.63 120.14 36.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 9.0 mtp180 -112.43 120.81 42.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.8 t30 74.94 20.21 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.8 p -66.1 122.12 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -102.88 143.02 33.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.6 mm -87.11 130.12 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.14 125.71 39.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.5 tpt -78.07 98.86 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 106' ' ' THR . 3.7 t80 -88.88 160.21 17.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.85 96.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.614 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.77 33.29 55.61 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.739 HG23 ' HG2' ' A' ' 137' ' ' GLU . 0.6 OUTLIER -158.4 179.96 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.395 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.0 165.37 31.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -154.53 166.06 34.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.621 HD21 HD22 ' A' ' 95' ' ' LEU . 38.1 tp -96.69 137.28 36.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -155.94 -179.2 30.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 32.9 t -136.44 133.18 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.06 175.67 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -23.51 65.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -94.34 26.65 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.024 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.424 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -148.82 141.6 9.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.52 158.2 44.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.1 mt -77.79 156.7 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.5 tp10 -97.61 -54.21 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.343 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.883 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 84.01 39.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.723 HG21 HG23 ' A' ' 32' ' ' THR . 9.5 t -43.47 166.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.429 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -54.46 -106.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.12 171.27 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.574 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -98.04 127.37 43.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.38 8.61 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.466 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.2 p90 -129.4 167.0 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 94.3 m -113.81 114.99 27.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.657 HG21 HD11 ' A' ' 36' ' ' ILE . 75.4 t -55.04 145.6 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.482 ' HD2' ' CB ' ' A' ' 131' ' ' ASN . 8.9 ttmm -101.3 92.14 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.96 57.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -150.89 -46.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.482 ' CB ' ' HD2' ' A' ' 128' ' ' LYS . 15.2 t-20 -86.31 57.1 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.971 ' HB3' HD21 ' A' ' 135' ' ' LEU . 52.7 t-20 -79.52 145.04 33.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.772 HD11 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -115.66 13.6 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.67 ' C ' HD13 ' A' ' 135' ' ' LEU . 1.0 OUTLIER -93.26 -4.23 52.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -113.36 -27.31 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.654 ' O ' HG22 ' A' ' 106' ' ' THR . 11.6 p -61.94 149.05 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.739 ' HG2' HG23 ' A' ' 106' ' ' THR . 43.2 mt-10 -124.02 128.88 50.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 24' ' ' PRO . 15.1 m-85 -94.96 155.81 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -111.39 157.08 20.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 m -172.1 93.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.97 144.75 7.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 68.49 5.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.0 t -154.58 -53.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.958 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 68.2 m 58.18 107.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -178.89 159.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.795 . . . . 0.0 109.956 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.41 154.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.55 140.88 5.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.123 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 p 178.24 121.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.03 159.88 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.68 154.73 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.148 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.69 92.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 t -171.2 158.61 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 10' ' ' VAL . 2.7 p -157.2 49.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -99.27 150.28 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 88.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 pttt -174.29 153.19 1.89 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -167.73 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.41 -29.58 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -109.19 164.77 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.751 HG13 HD13 ' A' ' 31' ' ' LEU . 11.5 p -95.97 174.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.634 ' H ' HG22 ' A' ' 17' ' ' VAL . 3.7 mmtp -118.88 169.8 9.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.756 HG12 ' CD1' ' A' ' 133' ' ' LEU . 98.5 t -70.58 -45.55 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.49 -10.31 33.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -88.09 -11.88 45.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 100' ' ' ILE . 49.0 mt -66.66 154.11 41.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -167.31 165.44 8.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 135.21 18.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.47 8.41 57.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.428 ' C ' HG23 ' A' ' 27' ' ' THR . 58.9 p -104.34 159.47 15.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.78 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 26' ' ' THR . 20.3 p -154.42 171.59 19.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.49 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.64 92.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -120.39 158.35 27.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 109.615 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 50.9 m -137.88 105.47 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.751 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -152.08 169.09 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.856 HG23 HG13 ' A' ' 94' ' ' ILE . 20.5 m -105.79 109.04 20.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.0 m -101.99 135.8 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -108.1 119.72 40.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.529 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.6 t -64.24 143.5 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.569 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -119.48 -50.23 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -137.03 155.64 49.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.244 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -146.84 107.07 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.72 ' O ' HG13 ' A' ' 64' ' ' VAL . 14.0 m-80 -137.91 148.76 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.416 HG22 HG22 ' A' ' 64' ' ' VAL . 25.4 pt -61.28 146.18 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -138.19 117.11 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.48 154.52 62.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' O ' HG23 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.91 107.84 2.57 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.833 HG12 HG22 ' A' ' 45' ' ' THR . 5.4 t -153.13 -80.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.833 HG22 HG12 ' A' ' 44' ' ' VAL . 7.5 t -157.54 99.35 1.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.674 ' HD2' HD12 ' A' ' 76' ' ' LEU . 17.3 ttp85 -40.97 -53.94 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 92.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -108.17 108.48 19.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 2.3 mtp180 -68.58 -52.95 17.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.0 Cg_endo -75.07 -168.31 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.44 178.17 8.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.48 167.38 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 p -117.6 -59.4 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mp 61.2 161.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.81 -69.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -170.57 144.26 1.94 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 125.64 9.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.36 -169.65 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 60.93 156.03 0.11 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 110.347 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ARG . 18.3 Cg_endo -75.03 -172.21 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 m 68.57 -62.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' PRO . 4.2 mmt85 61.58 105.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.771 HG23 HG23 ' A' ' 78' ' ' THR . 4.2 mm -115.81 131.05 69.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 39' ' ' ASN . 74.5 t -130.78 138.58 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -97.15 97.56 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.96 148.21 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 27.5 tp -95.37 120.41 35.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.866 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -135.57 153.0 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.415 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 167.95 -163.04 36.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.501 ' OD1' HG23 ' A' ' 19' ' ' VAL . 3.7 p-10 -137.49 -178.65 5.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 70' ' ' ASP . 4.2 pt-20 -38.07 -57.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.48 ' HG1' ' CG ' ' A' ' 70' ' ' ASP . 34.9 p -40.28 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.64 -172.33 19.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.406 ' CA ' HG11 ' A' ' 19' ' ' VAL . 2.5 p -139.72 167.29 22.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.762 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -148.57 163.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.674 HD12 ' HD2' ' A' ' 46' ' ' ARG . 11.7 mt -86.39 122.06 29.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CE2' HD21 ' A' ' 95' ' ' LEU . 2.0 t80 -125.23 132.99 52.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.771 HG23 HG23 ' A' ' 63' ' ' ILE . 70.8 m -86.74 129.62 34.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.65 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -116.31 132.14 56.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.6 mtm180 -72.88 166.12 23.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.507 ' O ' HG12 ' A' ' 84' ' ' VAL . 1.9 p-10 -47.63 -22.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 80' ' ' ARG . 8.3 m-20 -88.87 -61.92 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 84' ' ' VAL . 30.7 mt-30 -53.86 -39.71 65.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 81' ' ' ASN . 3.0 p -39.15 -43.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -54.99 38.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.942 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.9 mt -63.98 -39.1 93.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.866 ' CE ' HG21 ' A' ' 68' ' ' ILE . 52.7 mmm -82.5 50.09 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -85.04 154.07 60.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.544 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 125.09 9.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.01 32.04 11.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.04 155.85 49.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.7 m -110.1 128.45 55.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 119' ' ' ALA . 27.3 m -139.55 152.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.856 HG13 HG23 ' A' ' 32' ' ' THR . 11.0 mt -108.39 155.34 9.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.583 HD22 ' CD2' ' A' ' 109' ' ' LEU . 1.8 mp -119.26 130.1 55.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.2 128.14 48.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.0 18.9 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 p -65.52 128.96 38.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 137.38 44.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.472 HD11 HD13 ' A' ' 22' ' ' LEU . 22.4 mm -85.89 126.36 40.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 107' ' ' MET . 2.9 m-20 -94.99 124.65 39.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.14 101.05 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 106' ' ' THR . 7.9 t80 -88.75 157.46 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -41.4 97.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.885 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.3 42.88 95.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -174.84 -177.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.425 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.547 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.2 ptt? -151.38 167.52 27.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.95 165.1 37.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' A' ' 75' ' ' ILE . 21.1 tp -97.21 135.57 38.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.0 164.73 30.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.48 HG13 ' HA3' ' A' ' 115' ' ' GLY . 2.3 t -126.13 121.32 59.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.4 176.13 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -22.6 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -94.95 27.33 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.017 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.48 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -145.98 138.28 7.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.91 152.89 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.794 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.0 mt -78.47 156.1 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.672 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.6 tt0 -98.45 -55.48 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.942 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 83.74 48.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.513 HG21 HG23 ' A' ' 32' ' ' THR . 1.9 t -50.62 173.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -62.31 -98.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.46 166.64 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.06 130.58 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.42 2.63 50.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' A' ' 70' ' ' ASP . 5.4 p90 -120.64 161.11 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 73.2 m -103.2 108.51 19.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.569 HG21 HD11 ' A' ' 36' ' ' ILE . 48.3 t -55.54 147.98 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 131' ' ' ASN . 7.0 ttpp -108.43 97.1 6.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.04 54.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -145.81 -46.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 128' ' ' LYS . 49.4 t30 -84.31 49.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.486 ' HB2' ' CD1' ' A' ' 135' ' ' LEU . 6.8 m-20 -65.55 137.29 57.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.756 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.5 mt -97.22 -11.02 24.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -87.22 5.08 39.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 132' ' ' ASN . 18.5 mt -111.3 -65.88 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 106' ' ' THR . 12.3 p -43.89 151.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -117.2 134.56 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.547 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 17.9 m-30 -96.01 131.56 42.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.56 136.0 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.68 81.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.02 153.42 23.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 71.23 5.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.426 1.751 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.08 105.06 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 31.6 t 40.78 82.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -167.69 143.85 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.84 167.26 31.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.96 -170.06 36.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -167.42 163.63 14.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m 63.97 143.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.85 124.14 5.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -109.7 -92.27 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.415 ' O ' HG13 ' A' ' 10' ' ' VAL . 88.2 m 52.04 94.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 9' ' ' THR . 1.7 m -151.66 -47.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.52 -173.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -144.82 28.12 1.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -101.29 155.97 35.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -166.39 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.0 t -72.44 -31.55 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -110.75 157.41 19.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.9 HG13 HD13 ' A' ' 31' ' ' LEU . 12.8 p -88.72 173.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.601 ' H ' HG22 ' A' ' 17' ' ' VAL . 7.5 mmtp -123.62 167.81 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.733 HG12 HD11 ' A' ' 133' ' ' LEU . 96.2 t -67.59 -46.51 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -10.18 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -6.31 54.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.4 mt -73.14 151.54 41.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -166.18 170.56 5.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 138' ' ' TYR . 18.3 Cg_endo -74.94 135.93 19.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 31.75 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 27' ' ' THR . 80.9 p -126.18 155.45 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 110.433 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 26' ' ' THR . 2.6 p -152.26 171.97 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.31 92.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -117.71 155.01 30.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.591 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.1 m -135.53 104.14 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.9 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -153.13 167.72 28.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.801 HG23 HG13 ' A' ' 94' ' ' ILE . 5.4 m -101.68 108.54 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.0 m -101.23 130.89 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -107.37 118.82 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.592 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.7 t -66.21 145.64 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.807 HD11 HG21 ' A' ' 127' ' ' VAL . 2.1 mm -120.5 -49.24 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 4.8 mt-10 -136.55 157.31 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.93 110.43 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.693 ' C ' HG13 ' A' ' 64' ' ' VAL . 20.7 m-80 -139.16 150.55 45.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.1 pt -52.66 155.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.77 HG12 ' CD ' ' A' ' 65' ' ' GLU . 34.6 m -78.24 95.07 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -57.7 157.51 14.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' C ' ' CG1' ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.96 158.48 42.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.553 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.1 p 40.66 81.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 46' ' ' ARG . 7.7 t -160.13 -53.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.577 ' HD2' HD13 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -141.65 -47.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.43 160.38 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 m -133.63 112.6 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -63.99 -51.81 60.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.2 Cg_endo -75.06 56.19 4.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.28 -68.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.4 m -39.55 123.09 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 t -157.95 169.44 24.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 mp 61.54 161.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.83 -57.63 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -62.92 150.85 86.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 65.94 6.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 m -94.8 168.52 10.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -39.16 155.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.606 1.191 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.14 33.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.43 87.62 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.972 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.32 111.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.584 HD12 ' CG2' ' A' ' 78' ' ' THR . 2.2 mm -113.34 131.77 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.693 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.8 t -137.43 137.49 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.77 ' CD ' HG12 ' A' ' 41' ' ' VAL . 37.7 mt-10 -89.67 130.92 35.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.2 m -127.73 146.02 50.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.545 HD21 ' SG ' ' A' ' 74' ' ' CYS . 2.1 tt -90.69 116.5 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.857 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -133.53 154.17 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.501 ' CA ' HG21 ' A' ' 19' ' ' VAL . . . 169.98 -157.13 28.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -134.43 -179.25 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.245 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 15.8 pt-20 -50.74 -21.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.455 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 5.6 p -72.44 -77.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 131' ' ' ASN . . . -146.21 -172.46 16.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.545 ' SG ' HD21 ' A' ' 67' ' ' LEU . 28.0 p -135.72 169.67 17.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.925 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -155.89 163.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.577 HD13 ' HD2' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -87.3 119.25 27.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' A' ' 95' ' ' LEU . 7.2 t80 -126.12 121.81 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.584 ' CG2' HD12 ' A' ' 63' ' ' ILE . 75.6 m -77.01 133.79 39.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -119.7 131.07 55.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.452 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -71.97 163.65 27.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.538 ' O ' HG12 ' A' ' 84' ' ' VAL . 9.2 p-10 -44.87 -24.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -87.19 -62.6 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' MET . 26.9 mt-30 -53.45 -38.73 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.8 p -37.55 -42.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -55.22 29.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.042 HD22 ' HB2' ' A' ' 119' ' ' ALA . 6.5 mt -63.68 -22.27 66.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.857 ' CE ' HG21 ' A' ' 68' ' ' ILE . 53.7 mmm -100.04 33.57 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -71.15 158.03 88.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.68 15.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.549 1.815 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.52 21.56 61.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -122.99 143.29 50.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 0.72 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.617 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 36.0 m -104.33 129.58 52.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.663 HG11 ' O ' ' A' ' 86' ' ' LEU . 23.2 m -143.91 149.22 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.801 HG13 HG23 ' A' ' 32' ' ' THR . 40.2 mt -99.42 153.23 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.584 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 2.4 mp -116.24 117.32 29.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.448 ' NH1' ' OE2' ' A' ' 118' ' ' GLU . 16.3 mtp180 -108.54 139.48 43.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 55.97 23.91 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.0 p -68.42 122.22 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -103.54 142.36 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.8 mm -87.64 128.65 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.82 125.97 39.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.2 tpt -78.92 107.79 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 11.1 t80 -98.58 159.08 15.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.556 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -40.28 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.857 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.71 39.07 65.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.7 OUTLIER -165.91 178.21 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.753 . . . . 0.0 110.432 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.43 158.09 43.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -146.38 162.83 37.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.925 ' HB3' HD11 ' A' ' 75' ' ' ILE . 31.4 tp -96.5 137.64 35.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -155.79 170.86 33.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 t -130.94 118.53 42.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.66 175.26 8.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.587 ' HE3' ' CZ2' ' A' ' 114' ' ' TRP . 4.9 pttt -62.51 -15.92 52.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.587 ' CZ2' ' HE3' ' A' ' 113' ' ' LYS . 1.5 m95 -93.34 17.76 10.76 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.3 153.49 25.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 156.5 44.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.4 mt -77.39 156.39 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.725 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.3 tp10 -96.21 -63.64 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.042 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 88.27 42.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.639 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.6 OUTLIER -37.59 -61.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.639 ' H ' HG23 ' A' ' 120' ' ' THR . . . 111.71 108.21 2.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.43 ' N ' ' HB ' ' A' ' 92' ' ' THR . . . 61.52 143.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.617 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -109.42 156.66 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -106.79 18.87 21.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -142.12 166.46 24.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.5 m -109.86 115.33 29.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.807 HG21 HD11 ' A' ' 36' ' ' ILE . 48.9 t -54.54 131.02 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 8.0 ttpt -79.94 86.12 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 63.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -160.15 -44.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.467 ' O ' ' CA ' ' A' ' 73' ' ' GLY . 42.3 t30 -91.21 70.21 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.938 ' HB3' HD21 ' A' ' 135' ' ' LEU . 40.5 t-20 -87.45 149.17 24.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.733 HD11 HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -116.92 6.91 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.708 ' C ' HD13 ' A' ' 135' ' ' LEU . 96.4 p -85.84 -1.72 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.938 HD21 ' HB3' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -118.23 -37.36 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.62 ' O ' HG22 ' A' ' 106' ' ' THR . 11.7 p -47.14 148.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.657 ' HG2' HG23 ' A' ' 106' ' ' THR . 43.4 mt-10 -127.33 126.28 42.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.537 ' CE2' ' HD3' ' A' ' 24' ' ' PRO . 11.7 m-85 -93.11 166.05 12.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -76.54 118.94 19.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.112 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 26.6 p -134.8 120.53 19.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 115.76 160.78 12.6 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -41.65 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.24 -57.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.952 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.56 165.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.973 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.512 0.196 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.83 HG13 HD13 ' A' ' 31' ' ' LEU . 11.5 p -93.98 173.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.622 ' H ' HG22 ' A' ' 17' ' ' VAL . 7.3 mmtm -120.23 167.06 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.722 HG12 HD11 ' A' ' 133' ' ' LEU . 96.2 t -67.09 -49.06 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -8.8 35.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.98 -2.33 55.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 71.8 mt -74.84 161.59 29.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 9.0 mtmt -166.59 159.16 11.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.79 25.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.37 66.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -101.36 158.71 15.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.377 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' GLY . 4.9 p -149.13 178.93 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.64 90.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -120.89 158.01 28.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.6 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.575 HG23 ' HD3' ' A' ' 96' ' ' ARG . 4.0 m -138.29 108.57 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.83 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -154.69 172.04 18.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.714 HG23 HG13 ' A' ' 94' ' ' ILE . 7.3 m -107.75 108.63 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.82 134.45 42.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -107.71 121.88 45.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.555 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -69.97 144.11 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -120.1 -51.73 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 5.6 mt-10 -136.17 155.98 49.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.92 106.38 4.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.679 ' C ' HG13 ' A' ' 64' ' ' VAL . 6.4 m-80 -136.98 150.33 48.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.455 HG22 HG22 ' A' ' 64' ' ' VAL . 50.2 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.577 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.9 mm . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.679 HG13 ' C ' ' A' ' 39' ' ' ASN . 72.7 t -142.28 137.33 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -85.16 129.57 34.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.243 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 4.5 m -125.56 143.6 50.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 20.2 tp -88.38 116.4 26.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.91 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -134.15 153.36 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 168.93 -162.63 36.41 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' OD1' ' CD1' ' A' ' 125' ' ' PHE . 11.5 t0 -133.85 -179.01 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 8.1 pt-20 -45.11 -40.71 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 13.7 p -54.25 -80.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.445 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -145.91 -173.44 17.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.9 p -135.14 165.06 26.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.906 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -150.62 164.12 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 134' ' ' SER . 3.6 mt -89.04 123.35 33.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.905 ' CE2' HD21 ' A' ' 95' ' ' LEU . 2.4 t80 -127.25 134.92 50.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.577 ' CG2' HD12 ' A' ' 63' ' ' ILE . 64.0 m -90.27 134.86 34.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.75 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -124.96 132.14 53.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.408 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.2 mmm180 -72.79 171.33 12.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -49.86 -22.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 80' ' ' ARG . 22.5 m-20 -90.9 -56.95 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -56.53 -42.37 78.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.5 p -38.7 -47.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.449 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -55.61 -51.7 66.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.94 HD22 ' HB2' ' A' ' 119' ' ' ALA . 18.4 mt -66.67 -31.4 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.91 ' CE ' HG21 ' A' ' 68' ' ' ILE . 55.1 mmm -92.48 38.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -74.06 156.41 87.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.63 13.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.15 24.67 51.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -125.85 149.53 48.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.737 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.75 HG21 ' CA ' ' A' ' 123' ' ' ALA . 96.4 m -107.74 125.3 51.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 119' ' ' ALA . 20.0 m -140.22 159.28 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.714 HG13 HG23 ' A' ' 32' ' ' THR . 21.2 mt -114.56 160.42 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.905 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.1 mp -121.91 115.46 22.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.575 ' HD3' HG23 ' A' ' 30' ' ' THR . 0.1 OUTLIER -106.05 128.14 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 65.63 26.68 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 p -69.36 141.4 54.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -114.12 156.66 23.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 mm -109.38 126.31 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 107' ' ' MET . 4.5 m-20 -95.01 125.77 39.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.72 95.99 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.504 ' HD2' ' HG1' ' A' ' 106' ' ' THR . 9.9 t80 -83.05 158.57 22.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.491 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -41.99 97.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.806 ' O ' HG23 ' A' ' 106' ' ' THR . . . 57.58 33.43 66.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.3 p -162.85 -174.75 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 1.3 ptt? -153.37 169.08 23.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.36 164.38 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.906 ' HB3' HD11 ' A' ' 75' ' ' ILE . 43.7 tp -96.41 135.98 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.14 171.61 32.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 18.6 t -126.22 129.9 72.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.96 176.09 10.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.444 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -65.22 -23.07 66.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.444 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 42.4 m95 -94.88 26.97 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.44 143.81 12.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.74 156.4 48.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.2 mt -77.63 156.69 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.241 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.724 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 4.6 tp10 -100.32 -57.81 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.94 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 87.2 44.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.623 ' CG2' HG22 ' A' ' 92' ' ' THR . 1.6 t -43.37 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.29 -84.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.473 ' C ' HG21 ' A' ' 92' ' ' THR . . . -131.07 155.26 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.797 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.75 ' CA ' HG21 ' A' ' 92' ' ' THR . . . -67.98 -65.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 2.9 t 87.11 3.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.509 ' CZ ' ' HB1' ' A' ' 123' ' ' ALA . 7.2 p90 -131.2 148.98 52.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 90.1 m -87.46 115.86 25.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.463 HG21 HD11 ' A' ' 36' ' ' ILE . 20.1 t -67.09 146.14 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.2 ttpt -97.01 79.43 2.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -69.34 59.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' LYS . 13.7 m-20 -153.95 -45.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -82.55 51.99 1.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.433 ' C ' HD23 ' A' ' 133' ' ' LEU . 5.0 t-20 -62.41 142.38 57.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.722 HD11 HG12 ' A' ' 19' ' ' VAL . 8.4 mt -103.27 -19.28 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.479 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.512 0.196 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.833 HG13 HD13 ' A' ' 31' ' ' LEU . 8.0 p -93.19 177.71 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.729 ' H ' HG22 ' A' ' 17' ' ' VAL . 7.4 mmtt -123.85 172.54 8.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 133' ' ' LEU . 86.2 t -73.49 -43.68 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -6.18 29.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -94.86 -9.26 34.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.7 mt -68.89 158.58 34.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -166.5 163.09 11.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.1 13.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.18 -1.61 47.25 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.566 1.166 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.9 p -94.79 158.26 15.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 28' ' ' GLY . 5.3 p -150.75 172.62 15.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 37.48 93.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -121.24 159.26 26.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.7 m -140.37 111.57 7.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.426 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.833 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -156.54 169.79 23.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.675 HG23 HG21 ' A' ' 120' ' ' THR . 27.1 m -101.87 106.86 17.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -101.54 134.09 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -107.48 122.52 46.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.519 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.3 t -70.15 146.26 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.894 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.92 -51.36 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.5 mt-10 -134.83 160.53 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.01 113.38 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.675 ' C ' HG13 ' A' ' 64' ' ' VAL . 3.3 m-80 -138.06 145.8 42.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.0 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.531 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.8 mm . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.675 HG13 ' C ' ' A' ' 39' ' ' ASN . 92.1 t -131.61 140.47 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.649 ' HB3' HD11 ' A' ' 76' ' ' LEU . 37.2 mt-10 -92.26 123.6 35.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.2 m -122.31 149.85 43.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.262 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 tt -96.9 117.44 31.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.953 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.14 153.39 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.447 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 170.77 -160.92 33.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.543 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 2.2 t70 -135.87 -179.88 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 72' ' ' THR . 2.9 pt-20 -47.5 -27.11 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.51 ' O ' ' CE ' ' A' ' 128' ' ' LYS . 38.9 p -67.37 -75.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.04 -172.74 21.0 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.424 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 2.7 p -137.32 168.12 20.25 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.547 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.3 162.75 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.649 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -89.93 100.98 13.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CE2' HD21 ' A' ' 95' ' ' LEU . 14.2 t80 -106.12 139.22 40.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.531 ' CG2' HD12 ' A' ' 63' ' ' ILE . 21.1 m -95.73 131.25 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.678 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -117.84 135.03 54.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -72.75 170.56 14.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -51.33 -21.45 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.51 -55.41 3.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' VAL . 1.3 mt-30 -57.39 -41.75 80.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.3 p -38.44 -46.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.436 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 1.5 m-20 -55.74 -54.9 38.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.84 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.6 mt -63.84 -34.36 77.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.953 ' CE ' HG21 ' A' ' 68' ' ' ILE . 56.3 mmm -88.58 41.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.64 154.62 85.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.3 15.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.91 23.54 57.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.74 156.68 39.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.84 HG23 ' HB2' ' A' ' 123' ' ' ALA . 14.8 m -112.41 129.0 56.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 119' ' ' ALA . 26.8 m -144.88 159.81 14.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.553 HD12 ' HB ' ' A' ' 120' ' ' THR . 20.5 mt -111.9 157.6 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 109' ' ' LEU . 2.3 mp -118.15 114.84 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -105.65 135.12 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 t30 57.9 37.82 26.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.499 ' HB2' HD11 ' A' ' 109' ' ' LEU . 97.5 p -82.63 130.29 35.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -104.34 160.43 14.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.4 mm -111.92 125.68 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 107' ' ' MET . 1.6 p30 -95.58 130.15 42.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.49 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -80.23 100.96 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.522 ' HD2' ' HG1' ' A' ' 106' ' ' THR . 9.3 t80 -89.85 158.59 17.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -42.39 96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.803 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.19 33.2 69.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.803 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.3 p -162.88 -174.51 3.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 1.2 ptt? -155.76 164.2 38.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -146.87 161.59 40.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 95' ' ' LEU . 56.7 tp -97.39 142.84 28.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -157.94 177.78 34.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.87 134.44 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.09 176.49 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.6 ' HE3' ' CZ2' ' A' ' 114' ' ' TRP . 3.2 pttt -61.76 -24.46 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.6 ' CZ2' ' HE3' ' A' ' 113' ' ' LYS . 1.2 m95 -86.67 7.71 25.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.87 152.58 20.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -148.64 159.47 44.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.98 156.48 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.6 OUTLIER -101.69 -53.04 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.84 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 81.18 56.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.675 HG21 HG23 ' A' ' 32' ' ' THR . 1.7 t -61.06 171.23 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -57.3 -113.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.79 160.48 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.84 ' HB2' HG23 ' A' ' 92' ' ' THR . . . -90.78 138.94 31.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.85 16.45 25.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.543 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 6.4 p90 -132.26 161.31 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.5 m -106.56 117.9 35.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.894 HG21 HD11 ' A' ' 36' ' ' ILE . 54.4 t -55.04 141.5 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 72' ' ' THR . 2.5 tmmm? -109.85 94.04 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.6 -7.99 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -18.21 63.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.486 ' HB2' ' CD ' ' A' ' 128' ' ' LYS . 32.9 t30 -124.66 72.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.6 ' C ' HD23 ' A' ' 133' ' ' LEU . 4.7 t-20 -85.36 135.23 33.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.724 HD23 ' N ' ' A' ' 133' ' ' LEU . 1.7 mt -94.58 -21.68 18.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.504 0.192 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.869 HG13 HD13 ' A' ' 31' ' ' LEU . 10.8 p -91.12 175.16 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.653 ' H ' HG22 ' A' ' 17' ' ' VAL . 14.2 mmtt -121.4 169.57 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.652 HG12 ' CD1' ' A' ' 133' ' ' LEU . 95.0 t -71.54 -41.91 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.42 -4.76 28.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.78 3.27 47.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.548 HD13 HD11 ' A' ' 100' ' ' ILE . 83.5 mt -77.02 151.57 35.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 10.7 mttp -162.85 161.6 18.98 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.68 25.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.91 14.31 55.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -114.19 158.37 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' GLY . 3.0 p -151.08 175.97 11.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.09 91.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -117.96 158.54 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m -137.25 109.72 7.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.869 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -157.22 168.6 26.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.84 HG23 HG13 ' A' ' 94' ' ' ILE . 5.0 m -105.22 109.76 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.373 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -101.32 134.22 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -107.1 118.96 38.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.6 t -65.32 144.16 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 127' ' ' VAL . 2.1 mm -118.51 -49.93 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 4.5 mt-10 -140.95 156.32 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.26 112.65 6.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.664 ' C ' HG13 ' A' ' 64' ' ' VAL . 10.0 m-80 -138.08 147.97 44.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.7 pt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.664 HG13 ' C ' ' A' ' 39' ' ' ASN . 77.7 t -136.91 138.49 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -94.45 113.27 25.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 8.8 m -108.67 149.8 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 108.315 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 25.2 tp -94.72 119.41 33.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.903 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.72 153.53 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.566 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 175.09 -169.68 42.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 12.8 t0 -132.26 -179.27 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 0.718 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -44.8 -26.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.421 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 9.0 p -73.09 -78.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.413 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.55 -172.5 19.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.15 . . . . 0.0 111.047 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 4.7 p -136.06 168.12 19.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.574 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -148.6 163.67 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.31 110.7 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.756 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.3 t80 -114.12 142.58 46.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 82.8 m -99.32 124.61 44.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -111.68 131.8 55.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.9 mmm180 -72.11 165.55 24.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 84' ' ' VAL . 28.3 p-10 -47.17 -22.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -89.62 -61.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' LEU . 18.2 mt-30 -54.38 -37.81 65.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 81' ' ' ASN . 4.0 p -38.19 -45.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.21 -52.04 66.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.92 HD22 ' HB2' ' A' ' 119' ' ' ALA . 12.7 mt -63.72 -28.56 69.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.903 ' CE ' HG21 ' A' ' 68' ' ' ILE . 59.4 mmm -95.88 39.92 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.425 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -73.05 156.98 89.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.28 15.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.33 20.45 60.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -124.26 153.77 41.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.584 ' OG1' ' HB2' ' A' ' 123' ' ' ALA . 42.9 m -114.39 131.03 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.411 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 119' ' ' ALA . 17.9 m -141.87 161.85 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.84 HG13 HG23 ' A' ' 32' ' ' THR . 39.4 mt -111.65 160.05 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.756 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.3 mp -124.56 119.1 28.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.45 ' NH1' ' OE1' ' A' ' 118' ' ' GLU . 18.1 mtp180 -112.4 122.97 49.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.5 t30 76.31 19.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.429 ' CB ' HD23 ' A' ' 95' ' ' LEU . 24.8 p -67.13 130.74 44.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 110' ' ' GLY . 10.0 ptm180 -104.28 155.55 18.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.548 HD11 HD13 ' A' ' 22' ' ' LEU . 13.9 mm -105.21 126.38 60.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 107' ' ' MET . 0.9 OUTLIER -95.11 125.56 39.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.403 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.68 101.96 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' THR . 8.0 t80 -91.98 157.41 16.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -41.35 97.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.885 ' O ' HG23 ' A' ' 106' ' ' THR . . . 57.61 42.9 94.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -175.47 -177.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 110.387 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -146.92 174.61 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.489 ' O ' HD13 ' A' ' 100' ' ' ILE . 32.2 mtm180 -155.89 166.35 33.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.675 ' CD2' HD22 ' A' ' 95' ' ' LEU . 16.4 tp -96.1 136.62 36.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' ARG . . . -152.43 157.51 27.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.5 130.03 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.08 175.87 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -20.31 66.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -95.97 21.84 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -135.4 149.6 20.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -147.19 155.35 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.434 ' HB ' HD13 ' A' ' 86' ' ' LEU . 14.1 mt -77.21 156.02 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.687 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 6.5 tp10 -101.69 -53.55 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.92 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 83.45 51.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.506 ' CG2' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -37.63 -51.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 137.8 -74.01 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.421 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.94 163.73 29.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.584 ' HB2' ' OG1' ' A' ' 92' ' ' THR . . . -105.42 154.45 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.4 p -116.7 3.27 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.551 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 8.6 p90 -118.8 159.34 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.2 m -102.82 110.14 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 36' ' ' ILE . 53.5 t -55.07 143.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.477 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 1.2 ttmm -106.14 88.55 2.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -16.14 11.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -26.36 61.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.477 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 37.5 t30 -105.24 60.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -85.77 124.83 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.652 ' CD1' HG12 ' A' ' 19' ' ' VAL . 1.9 mt -86.6 -12.65 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.99 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.54 0.209 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.813 HG13 HD13 ' A' ' 31' ' ' LEU . 12.0 p -94.93 173.97 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.619 ' H ' HG22 ' A' ' 17' ' ' VAL . 13.2 mmtt -120.23 171.25 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 133' ' ' LEU . 82.1 t -71.97 -45.04 65.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -8.08 29.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -93.66 -9.21 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 77.9 mt -68.16 153.42 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 4.7 mtpt -160.06 160.09 26.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.72 11.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.79 -2.86 38.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.8 p -95.72 152.17 18.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -143.98 174.75 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.3 91.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -119.48 162.2 19.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m -140.9 106.43 5.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.813 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -153.57 169.52 23.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.56 HG23 HG21 ' A' ' 120' ' ' THR . 90.3 m -105.32 109.16 21.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -101.76 136.81 32.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.1 tttm -109.58 122.49 47.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.52 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -69.94 144.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.895 HD11 HG21 ' A' ' 127' ' ' VAL . 2.4 mm -121.0 -50.12 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.3 mt-10 -134.29 158.49 43.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -152.7 107.94 3.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.721 ' C ' HG13 ' A' ' 64' ' ' VAL . 5.0 m-80 -138.53 152.66 48.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 pt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 mm . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.721 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.7 t -128.18 138.36 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HG2' ' CD1' ' A' ' 76' ' ' LEU . 28.7 mt-10 -89.67 128.09 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.3 m -126.19 152.15 46.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.3 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.423 HD22 HG13 ' A' ' 36' ' ' ILE . 6.7 tt -100.9 116.52 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.965 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.14 153.57 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.2 -163.42 36.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 15.3 t0 -132.5 -179.38 5.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -45.51 -35.36 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.423 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 16.0 p -60.2 -79.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.365 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 131' ' ' ASN . . . -147.53 -172.54 17.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.1 p -136.71 168.94 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.821 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -148.17 163.28 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.434 ' CD1' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -90.27 102.07 14.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.705 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.9 t80 -105.1 141.35 36.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 77.2 m -97.33 129.66 44.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.702 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -119.5 132.32 55.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -72.66 170.1 15.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.433 ' O ' HG12 ' A' ' 84' ' ' VAL . 19.6 t-20 -49.47 -22.75 1.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -89.59 -58.21 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -55.63 -43.05 75.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.6 p -37.91 -44.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.408 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 17.2 t0 -55.74 -55.67 29.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.827 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 1.8 mt -63.84 -32.54 74.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.965 ' CE ' HG21 ' A' ' 68' ' ' ILE . 60.0 mmm -89.42 41.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -77.09 156.13 82.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.78 15.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.7 24.45 55.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.12 153.84 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.666 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 38.0 m -111.31 127.74 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.831 HG12 ' HA ' ' A' ' 119' ' ' ALA . 34.3 m -139.94 152.54 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.508 HD12 ' HB ' ' A' ' 120' ' ' THR . 12.8 mt -110.34 151.38 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.853 HD22 HD21 ' A' ' 109' ' ' LEU . 2.0 mp -114.44 116.1 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 13.9 mtp180 -108.63 117.63 34.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.8 t30 78.31 25.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.591 ' CB ' HD23 ' A' ' 95' ' ' LEU . 7.8 p -71.73 131.89 43.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.88 165.04 11.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 109' ' ' LEU . 14.6 mm -118.44 124.87 73.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.32 126.63 40.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -75.87 98.74 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 106' ' ' THR . 7.7 t80 -85.98 158.26 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -42.28 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.766 ' O ' HG23 ' A' ' 106' ' ' THR . . . 57.98 31.9 65.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.4 p -161.87 -174.1 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.433 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -156.3 164.09 38.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -146.37 164.56 32.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.853 HD21 HD22 ' A' ' 95' ' ' LEU . 48.9 tp -97.14 135.27 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -147.93 174.24 27.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.3 t -131.13 132.51 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.57 174.47 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -25.5 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -91.44 15.65 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -132.41 139.57 11.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -134.46 156.71 48.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.72 156.05 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.666 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -97.41 -54.99 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.831 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 83.71 36.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.56 HG21 HG23 ' A' ' 32' ' ' THR . 6.1 t -40.18 160.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -50.66 -101.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.44 165.63 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.666 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -93.26 147.74 22.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.32 20.71 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.554 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.5 p90 -139.07 162.45 34.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.8 m -108.22 117.48 34.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.895 HG21 HD11 ' A' ' 36' ' ' ILE . 78.6 t -55.66 141.98 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 131' ' ' ASN . 10.1 ttpp -107.61 85.51 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.58 -17.9 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.01 -37.83 88.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.454 ' O ' ' CA ' ' A' ' 73' ' ' GLY . 49.5 t30 -102.74 83.37 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.603 ' C ' HD23 ' A' ' 133' ' ' LEU . 8.5 t-20 -101.33 132.93 46.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.756 HD11 HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -96.35 -6.29 38.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.4 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.523 0.202 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.835 HG13 HD13 ' A' ' 31' ' ' LEU . 7.8 p -96.6 176.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.71 ' H ' HG22 ' A' ' 17' ' ' VAL . 2.2 mmtp -123.41 166.31 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.636 HG12 ' CD1' ' A' ' 133' ' ' LEU . 88.0 t -67.88 -50.22 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.555 ' OE2' HG22 ' A' ' 72' ' ' THR . 11.7 pt-20 -64.94 -11.8 42.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.36 -1.87 57.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.7 mt -73.81 161.18 30.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -167.96 162.42 9.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 139.6 24.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.81 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.95 25.7 26.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.6 p -122.37 153.17 39.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.431 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -145.45 166.88 24.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 45.12 95.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -122.15 158.24 29.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.616 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 m -138.25 107.41 6.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.835 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -155.22 165.92 35.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.652 HG23 HG13 ' A' ' 94' ' ' ILE . 3.9 m -98.93 107.8 20.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.419 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 m -101.81 131.79 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.2 tttt -107.21 121.95 45.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.5 t -68.01 143.94 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.656 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -118.88 -50.03 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 5.7 mt-10 -139.67 158.95 43.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.09 113.72 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.684 ' C ' HG13 ' A' ' 64' ' ' VAL . 3.6 m-80 -137.75 148.76 45.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.491 ' HA ' HG22 ' A' ' 64' ' ' VAL . 45.8 pt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.447 HD12 ' CG2' ' A' ' 78' ' ' THR . 3.2 mm . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.684 HG13 ' C ' ' A' ' 39' ' ' ASN . 88.6 t -139.63 138.74 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HB3' HD21 ' A' ' 76' ' ' LEU . 55.5 mt-10 -95.28 123.08 38.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.3 m -116.63 143.65 45.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 108.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.6 tp -88.05 117.88 27.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.894 HG21 ' HE1' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.38 153.25 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.471 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 172.28 -165.07 37.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -131.72 -179.53 5.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 0.794 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -49.53 -22.95 1.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.555 HG22 ' OE2' ' A' ' 20' ' ' GLU . 17.6 p -73.43 -78.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.45 -172.53 15.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.405 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 19.4 p -139.95 165.53 27.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.893 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -151.54 163.81 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -86.61 117.25 25.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CE2' HD21 ' A' ' 95' ' ' LEU . 4.4 t80 -122.95 127.73 49.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.571 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 98.3 m -79.17 143.33 35.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.591 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -131.28 130.23 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -72.55 165.79 23.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 84' ' ' VAL . 40.8 p-10 -46.75 -23.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -88.31 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 24.2 mt-30 -54.03 -39.53 66.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 81' ' ' ASN . 3.3 p -38.54 -42.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.46 -53.41 56.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.033 HD22 ' HB2' ' A' ' 119' ' ' ALA . 15.8 mt -64.14 -24.36 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.894 ' HE1' HG21 ' A' ' 68' ' ' ILE . 53.8 mmm -98.48 40.45 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.438 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -75.23 154.98 86.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.07 12.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.23 23.9 46.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -126.75 156.36 41.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.724 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 88.4 m -113.52 131.71 55.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 86' ' ' LEU . 32.7 m -146.15 152.38 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.652 HG13 HG23 ' A' ' 32' ' ' THR . 34.1 mt -104.52 155.24 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.59 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 1.7 mp -115.63 118.88 34.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -109.19 129.6 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 t30 63.72 29.08 14.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.8 p -74.86 127.47 33.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -102.4 157.87 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.7 mm -107.3 125.69 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 107' ' ' MET . 2.0 m-20 -95.14 124.76 39.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.447 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.16 106.07 10.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 9.5 t80 -95.44 157.53 15.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.487 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -41.34 97.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.886 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.23 42.66 95.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -175.02 -176.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 110.413 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.428 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 1.1 ptt? -154.74 163.97 39.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -146.06 163.35 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.893 ' HB3' HD11 ' A' ' 75' ' ' ILE . 28.0 tp -97.56 136.1 38.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -154.35 155.89 26.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.46 127.6 70.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.85 176.26 9.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -20.26 66.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -94.77 24.85 4.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 107.976 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.66 146.2 16.38 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.07 158.84 43.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 0.788 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.468 ' HB ' HD13 ' A' ' 86' ' ' LEU . 4.9 mt -77.49 156.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.716 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 3.8 tp10 -97.53 -60.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.033 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 86.73 45.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.2 OUTLIER -35.83 -56.48 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.509 ' H ' HG23 ' A' ' 120' ' ' THR . . . 144.42 -80.53 0.23 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.411 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -133.16 155.31 49.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.724 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -100.17 149.41 23.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 10.11 23.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -123.59 155.65 37.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.4 m -98.47 110.77 23.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.656 HG21 HD11 ' A' ' 36' ' ' ILE . 48.0 t -54.7 140.16 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -90.44 88.13 7.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.33 63.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.12 -44.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -83.81 52.98 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -69.68 134.94 49.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.636 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.9 mt -96.4 -17.14 20.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.457 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.521 0.2 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.809 HG13 HD13 ' A' ' 31' ' ' LEU . 7.4 p -97.75 178.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.743 ' H ' HG22 ' A' ' 17' ' ' VAL . 14.3 mmtt -128.39 164.9 21.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.771 ' O ' HD11 ' A' ' 133' ' ' LEU . 94.0 t -64.84 -41.5 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 9.8 pt-20 -69.38 -4.3 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.472 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.67 -2.48 35.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.67 146.09 40.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -158.43 168.54 12.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.78 14.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.67 51.72 2.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.1 p -149.72 153.3 36.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' GLY . 12.5 p -146.38 174.33 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 38.84 94.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -121.39 159.42 26.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -138.36 109.28 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.809 HD13 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -155.99 169.64 23.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.707 HG23 ' CG1' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -104.31 111.17 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.416 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.1 m -104.16 134.25 45.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -110.99 121.43 45.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.522 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.3 t -70.58 147.41 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.827 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.12 -50.21 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -137.63 168.36 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -148.0 109.37 4.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.616 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -121.61 137.31 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 64' ' ' VAL . 51.2 pt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 80' ' ' ARG . 2.4 mm . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.616 HG13 ' C ' ' A' ' 39' ' ' ASN . 81.0 t -127.9 138.85 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HB3' HD11 ' A' ' 76' ' ' LEU . 29.2 mt-10 -86.52 134.88 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 9.6 m -131.83 144.71 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 108.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 1.2 tt -91.92 115.7 28.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.937 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.92 153.99 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.533 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 173.44 -172.82 45.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' THR . 3.3 t0 -130.02 -177.39 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 72' ' ' THR . 0.9 OUTLIER -69.12 56.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.257 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' GLU . 23.9 p -158.44 -54.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.405 ' C ' ' SG ' ' A' ' 74' ' ' CYS . . . -160.08 -176.25 31.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.541 ' CA ' HG11 ' A' ' 19' ' ' VAL . 1.7 m -147.16 163.37 36.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.594 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -152.61 163.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -89.38 104.36 16.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.1 t80 -103.88 141.89 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.599 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 88.6 m -98.31 132.86 43.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.663 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -123.88 131.15 53.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' A' ' 63' ' ' ILE . 1.1 mmt180 -73.06 172.3 11.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -49.81 -23.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 80' ' ' ARG . 2.1 m-20 -90.36 -57.14 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -54.77 -42.73 72.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.8 p -38.6 -46.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 58.9 m-20 -54.61 -55.08 33.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.804 HD22 ' HB2' ' A' ' 119' ' ' ALA . 7.9 mt -63.5 -37.23 86.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.937 ' CE ' HG21 ' A' ' 68' ' ' ILE . 47.0 mmm -87.91 38.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.432 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.22 155.71 93.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.405 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 132.2 15.14 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.42 21.47 62.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -124.63 160.26 28.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.648 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 61.6 m -116.4 143.19 45.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.475 HG13 ' C ' ' A' ' 92' ' ' THR . 23.9 m -155.18 153.75 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.707 ' CG1' HG23 ' A' ' 32' ' ' THR . 29.7 mt -107.48 160.51 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.871 HD22 HD21 ' A' ' 109' ' ' LEU . 4.4 mp -121.73 114.96 21.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 12.0 mtp180 -107.78 113.18 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.4 t30 79.65 34.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.8 p -80.15 145.16 32.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -113.55 171.74 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mm -125.94 123.76 64.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.453 ' OD2' ' NH2' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -94.64 125.76 39.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -72.84 102.2 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.7 t80 -90.62 159.06 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.46 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.784 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.67 32.21 61.32 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.784 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.2 p -162.31 -173.25 3.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -151.34 175.14 12.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.453 ' NH2' ' OD2' ' A' ' 101' ' ' ASP . 35.6 mtm105 -155.1 166.4 33.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.871 HD21 HD22 ' A' ' 95' ' ' LEU . 20.0 tp -97.3 136.72 37.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.07 163.18 29.4 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.1 t -124.7 130.67 73.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.62 175.93 9.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -20.66 64.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -93.69 10.37 33.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 107.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -128.97 140.3 11.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.28 161.32 35.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.536 ' HB ' HD13 ' A' ' 86' ' ' LEU . 2.7 mt -77.68 153.8 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -96.4 -57.51 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.804 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 84.36 49.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.576 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.1 OUTLIER -37.84 -59.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 110.405 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.576 ' H ' HG23 ' A' ' 120' ' ' THR . . . 140.74 -62.89 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.38 143.93 30.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 1.091 ' HB1' ' CE2' ' A' ' 125' ' ' PHE . . . -88.35 -51.35 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER 83.39 -3.47 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 1.091 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 7.5 p90 -114.95 159.63 20.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.7 m -94.74 121.89 36.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.827 HG21 HD11 ' A' ' 36' ' ' ILE . 20.7 t -59.47 126.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 5.6 tttt -62.71 86.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.9 53.49 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -142.99 -47.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.717 ' O ' HD23 ' A' ' 133' ' ' LEU . 65.2 t30 -91.94 45.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.493 ' OD1' ' CB ' ' A' ' 134' ' ' SER . 59.6 t-20 -63.8 103.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.771 HD11 ' O ' ' A' ' 19' ' ' VAL . 3.6 mt -64.35 -12.69 44.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.493 ' CB ' ' OD1' ' A' ' 132' ' ' ASN . 1.2 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.967 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' HG22 ' A' ' 30' ' ' THR . 4.7 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.532 0.206 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -108.24 -170.83 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 15.5 mmtt -133.73 179.29 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.796 HG12 HD11 ' A' ' 133' ' ' LEU . 98.3 t -74.56 -40.97 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.56 -6.49 44.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.96 1.84 48.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 100' ' ' ILE . 53.9 mt -79.91 157.07 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 9.7 mttt -171.6 166.23 4.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.39 31.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.94 35.83 17.39 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -134.48 157.81 45.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -150.94 173.76 13.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.69 92.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -118.79 155.13 31.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.57 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.495 HG22 ' CE2' ' A' ' 16' ' ' PHE . 3.6 m -134.85 104.6 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -153.12 166.97 30.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.777 HG23 HG13 ' A' ' 94' ' ' ILE . 7.2 m -104.65 111.17 23.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.49 134.7 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -107.63 120.19 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.7 t -65.48 145.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.803 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -119.04 -50.81 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 7.1 mt-10 -136.65 163.02 31.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -149.51 107.52 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.618 ' C ' HG13 ' A' ' 64' ' ' VAL . 13.3 m-80 -139.08 148.86 43.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.618 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.1 t -129.64 138.52 54.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.526 ' HG2' HD21 ' A' ' 76' ' ' LEU . 48.1 mt-10 -90.45 115.43 27.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 7.2 m -112.94 146.9 38.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' ILE . 21.2 tp -92.65 122.16 34.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.847 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.81 154.16 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.678 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 173.63 -165.1 36.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.437 1.086 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.596 ' OD1' ' CE1' ' A' ' 125' ' ' PHE . 11.3 t0 -137.12 -179.23 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -47.46 -23.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.446 ' O ' ' CE ' ' A' ' 128' ' ' LYS . 23.9 p -75.9 -78.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.438 ' C ' HG11 ' A' ' 19' ' ' VAL . . . -146.99 -172.41 17.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.525 ' N ' HG11 ' A' ' 19' ' ' VAL . 1.1 p -140.2 166.18 25.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.677 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -148.22 164.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.526 HD21 ' HG2' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -85.13 114.74 22.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.652 ' HE2' HD21 ' A' ' 95' ' ' LEU . 2.0 t80 -116.09 140.37 49.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 82.9 m -99.59 129.06 45.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.737 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -121.83 131.25 53.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.9 mmt180 -72.61 172.36 10.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -50.73 -21.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.8 OUTLIER -90.94 -55.92 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.4 -43.44 88.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.7 p -38.48 -45.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -54.68 -54.36 42.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.936 HD22 ' HB2' ' A' ' 119' ' ' ALA . 4.3 mt -65.32 -35.38 80.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.847 ' CE ' HG21 ' A' ' 68' ' ' ILE . 62.0 mmm -87.7 41.27 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -74.94 155.73 86.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.4 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.97 133.06 16.17 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.98 20.47 61.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.14 162.38 22.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.592 ' OG1' ' HB2' ' A' ' 123' ' ' ALA . 90.9 m -120.68 130.53 54.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.966 HG12 ' HA ' ' A' ' 119' ' ' ALA . 19.4 m -140.02 161.73 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.777 HG13 HG23 ' A' ' 32' ' ' THR . 15.4 mt -117.28 154.73 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.781 HD22 ' CD2' ' A' ' 109' ' ' LEU . 2.2 mp -117.21 114.47 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 3.7 mtt180 -109.66 118.26 36.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.7 t30 79.51 20.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.407 ' CB ' HD23 ' A' ' 95' ' ' LEU . 18.6 p -66.83 144.92 56.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.82 140.01 53.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.533 HD11 HD13 ' A' ' 22' ' ' LEU . 12.3 mm -90.91 127.61 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 107' ' ' MET . 2.4 m-20 -94.7 125.52 39.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.422 ' HE1' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -80.29 95.91 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.512 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 8.3 t80 -83.6 158.05 22.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -41.45 97.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' PHE . . . 57.38 38.49 87.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -167.49 179.89 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.397 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 1.1 ptt? -152.88 165.88 34.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -154.29 166.64 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.781 ' CD2' HD22 ' A' ' 95' ' ' LEU . 20.7 tp -94.49 138.16 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -152.76 169.47 31.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.47 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 53.8 t -130.35 130.43 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -80.34 174.32 11.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -23.19 67.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -91.11 12.95 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 107.962 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.3 148.88 17.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -145.01 153.56 41.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.5 mt -78.18 151.87 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.648 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 7.1 tp10 -95.47 -48.35 5.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.966 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 81.25 40.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.532 HG21 HG23 ' A' ' 32' ' ' THR . 1.8 t -39.88 152.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -40.79 -93.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.29 169.1 18.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.592 ' HB2' ' OG1' ' A' ' 92' ' ' THR . . . -91.54 137.0 32.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.7 t -106.87 10.75 30.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CE1' ' OD1' ' A' ' 70' ' ' ASP . 5.2 p90 -129.31 160.39 33.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.1 m -102.71 114.82 29.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.803 HG21 HD11 ' A' ' 36' ' ' ILE . 17.2 t -55.69 124.15 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' ' 72' ' ' THR . 3.9 ttmm -79.05 89.72 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 59.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.09 -45.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.425 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 58.6 t30 -86.33 50.46 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -74.05 136.04 43.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.796 HD11 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -113.75 19.37 16.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 30' ' ' THR . 5.9 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.521 0.201 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -170.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HD2' HG21 ' A' ' 72' ' ' THR . 15.8 mttt -131.47 176.53 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.684 HG13 ' CG2' ' A' ' 75' ' ' ILE . 79.2 t -73.52 -47.29 45.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 14.3 pt-20 -68.95 -7.47 35.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -10.83 35.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.29 159.0 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -166.37 165.25 10.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.498 ' HB3' ' HE3' ' A' ' 102' ' ' MET . 18.2 Cg_endo -74.98 143.31 28.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.12 43.96 8.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 p -138.12 157.45 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -149.14 169.34 20.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 41.11 93.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -121.4 155.78 34.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.4 HG22 ' CE2' ' A' ' 16' ' ' PHE . 2.8 m -135.46 110.86 9.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.424 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -157.09 165.69 35.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.631 HG23 HG13 ' A' ' 94' ' ' ILE . 4.3 m -100.97 106.02 17.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.3 m -101.62 133.15 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.1 tttt -106.5 123.21 47.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.56 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -69.03 144.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.544 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -119.57 -51.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.27 170.6 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.65 107.67 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.691 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -130.02 145.41 51.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.794 HG22 HG22 ' A' ' 64' ' ' VAL . 13.3 pt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.566 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.6 mm . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 40' ' ' ILE . 87.1 t -141.31 139.87 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -86.29 131.74 34.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.7 m -129.37 148.98 51.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 108.313 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.443 HD21 ' OE1' ' A' ' 129' ' ' GLU . 22.1 tp -97.18 118.52 33.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.857 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -134.32 153.2 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.657 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 172.1 -157.98 28.25 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.459 1.099 . . . . 0.0 111.052 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.505 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 12.2 t0 -136.14 -179.4 5.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -50.66 -25.13 3.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.463 HG21 ' HD2' ' A' ' 18' ' ' LYS . 51.1 p -70.78 -79.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -140.51 -172.72 13.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.43 ' CA ' HG11 ' A' ' 19' ' ' VAL . 1.1 p -144.28 157.57 44.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.684 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.06 163.47 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 76' ' ' LEU . 11.3 mt -88.65 121.75 31.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.788 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.4 t80 -124.83 134.91 52.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.566 ' CG2' HD12 ' A' ' 63' ' ' ILE . 22.3 m -88.98 129.17 35.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -116.55 133.83 55.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.443 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.43 164.43 26.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.569 ' O ' HG12 ' A' ' 84' ' ' VAL . 47.5 t-20 -45.59 -24.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -87.03 -63.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 84' ' ' VAL . 20.8 mt-30 -52.14 -37.7 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.9 p -38.45 -41.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -55.93 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.927 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.9 mt -63.58 -27.53 69.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.857 ' CE ' HG21 ' A' ' 68' ' ' ILE . 51.1 mmm -96.33 38.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.38 156.25 85.48 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 132.95 15.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.17 22.81 58.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.21 158.54 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.871 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 23.1 m -114.34 136.42 53.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.727 HG11 ' O ' ' A' ' 86' ' ' LEU . 21.8 m -148.54 160.37 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.631 HG13 HG23 ' A' ' 32' ' ' THR . 7.4 mt -114.1 159.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.788 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.7 mp -121.07 115.53 23.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.01 125.71 53.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 70.61 25.9 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.6 p -68.14 141.91 55.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.04 146.4 34.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.567 HD12 ' SD ' ' A' ' 107' ' ' MET . 21.3 mm -103.97 118.43 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 107' ' ' MET . 1.0 OUTLIER -94.3 124.33 38.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.508 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.35 96.4 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.691 ' HB3' HG23 ' A' ' 106' ' ' THR . 5.1 t80 -81.36 159.08 24.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.618 ' O ' HG22 ' A' ' 106' ' ' THR . 0.7 OUTLIER -40.21 96.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.775 ' C ' HG22 ' A' ' 106' ' ' THR . . . 58.9 52.66 52.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.775 HG22 ' C ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER 169.28 179.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.365 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.567 ' SD ' HD12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -147.7 158.87 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -137.1 167.46 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.693 ' CD2' HD22 ' A' ' 95' ' ' LEU . 16.3 tp -95.33 139.75 31.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -158.44 168.92 34.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.67 122.2 54.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.57 175.86 7.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -21.49 66.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -95.02 25.88 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -142.47 145.93 16.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.45 155.74 47.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.9 mt -77.45 155.92 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -97.48 -56.31 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.927 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 84.16 51.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.509 ' HB ' HD12 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -40.23 -53.76 2.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.414 ' H ' HG23 ' A' ' 120' ' ' THR . . . 140.36 -79.95 0.27 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.68 153.54 51.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.751 . . . . 0.0 109.287 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.871 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -99.47 141.76 31.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.97 14.9 30.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.059 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.505 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.0 p90 -128.69 156.93 42.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.6 m -98.98 110.19 22.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.544 HG21 HD11 ' A' ' 36' ' ' ILE . 40.9 t -56.66 140.23 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.49 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 4.4 ttpt -101.57 106.62 17.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.443 ' OE1' HD21 ' A' ' 67' ' ' LEU . 1.1 mt-10 -86.56 48.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -127.25 -44.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.49 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 49.0 t30 -92.36 43.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -62.7 136.2 57.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.626 HD11 HG12 ' A' ' 19' ' ' VAL . 2.5 mt -97.8 -2.09 41.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.474 0.178 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.848 HG13 HD13 ' A' ' 31' ' ' LEU . 11.8 p -93.7 175.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.651 ' H ' HG22 ' A' ' 17' ' ' VAL . 2.0 mmtm -123.44 168.77 12.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.632 HG12 HD11 ' A' ' 133' ' ' LEU . 85.8 t -72.25 -38.97 63.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.76 -8.39 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.01 -9.88 32.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.54 158.57 20.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -165.8 163.31 12.55 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HB3' ' HE3' ' A' ' 102' ' ' MET . 18.3 Cg_endo -74.99 141.63 26.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.78 29.22 29.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 27' ' ' THR . 69.0 p -122.34 161.27 23.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 26' ' ' THR . 2.5 p -154.92 176.56 12.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.85 90.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -121.47 158.56 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 0.0 109.585 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.4 m -138.16 106.32 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.848 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -152.89 166.67 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.529 HG23 HG21 ' A' ' 120' ' ' THR . 57.5 m -101.53 112.81 25.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.44 137.72 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.572 ' HG3' ' HB2' ' A' ' 123' ' ' ALA . 2.2 tttm -108.6 120.2 41.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.462 ' O ' HD13 ' A' ' 36' ' ' ILE . 2.4 t -69.15 145.19 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.688 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.89 -51.16 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.03 167.11 20.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.77 104.24 2.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.608 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -128.52 135.95 50.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.44 ' HA ' HG22 ' A' ' 64' ' ' VAL . 17.1 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.4 mm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.608 HG13 ' C ' ' A' ' 39' ' ' ASN . 96.9 t -130.11 140.85 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.717 ' HB3' HD11 ' A' ' 76' ' ' LEU . 35.0 mt-10 -94.0 123.23 37.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -121.65 144.09 48.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD22 HG13 ' A' ' 36' ' ' ILE . 6.5 tt -87.86 118.99 27.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.902 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.54 153.93 39.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.433 ' O ' HG22 ' A' ' 127' ' ' VAL . . . 172.84 -172.35 45.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -131.86 -179.35 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.23 -25.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.453 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 11.6 p -73.07 -79.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.22 -172.46 18.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -138.92 167.84 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.703 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -151.17 163.27 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -85.04 109.36 18.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.806 ' CE1' HD21 ' A' ' 95' ' ' LEU . 76.7 t80 -109.12 151.04 26.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.6 m -106.13 125.61 51.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.681 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -115.36 132.06 56.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.3 mmm-85 -72.78 169.81 15.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -50.75 -21.69 1.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -91.59 -55.78 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' VAL . 2.1 mt-30 -57.21 -40.26 77.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.6 p -38.17 -44.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 14.4 m-20 -57.78 -54.95 41.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.941 HD22 ' HB2' ' A' ' 119' ' ' ALA . 4.2 mt -63.53 -31.44 72.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.902 ' CE ' HG21 ' A' ' 68' ' ' ILE . 61.0 mmm -91.95 41.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -75.01 155.19 86.62 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.36 15.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.15 21.86 58.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.77 158.91 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.878 ' OG1' ' HB2' ' A' ' 123' ' ' ALA . 32.8 m -116.11 132.98 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.731 HG12 ' HA ' ' A' ' 119' ' ' ALA . 25.4 m -145.31 159.61 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.56 HD12 ' HB ' ' A' ' 120' ' ' THR . 7.9 mt -111.21 150.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.806 HD21 ' CE1' ' A' ' 77' ' ' PHE . 1.9 mp -114.91 114.37 25.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -106.61 147.93 28.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 48.87 26.14 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.9 p -70.62 138.55 50.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.66 159.93 15.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' A' ' 107' ' ' MET . 16.0 mm -113.2 121.59 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 107' ' ' MET . 3.8 m-20 -94.81 123.9 38.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.534 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -81.11 101.64 9.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.656 ' HB3' HG23 ' A' ' 106' ' ' THR . 4.9 t80 -86.77 158.84 19.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.522 ' O ' HG22 ' A' ' 106' ' ' THR . 17.4 mtmt -40.61 97.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.781 ' C ' HG22 ' A' ' 106' ' ' THR . . . 61.47 55.02 31.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.781 HG22 ' C ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER 165.27 176.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.378 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.555 ' SD ' HD12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -138.94 160.83 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.661 HH21 HD12 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -138.68 167.5 21.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.703 ' HB3' HD11 ' A' ' 75' ' ' ILE . 15.7 tp -96.93 141.82 29.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -159.13 164.0 33.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.416 HG13 ' HA3' ' A' ' 115' ' ' GLY . 62.6 t -125.78 138.52 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -93.43 174.21 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -59.99 -28.02 67.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.411 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 5.8 m95 -86.25 5.18 35.56 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.416 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -120.75 145.54 17.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -143.55 157.44 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.39 156.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.641 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -98.96 -52.93 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.941 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 81.57 46.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.56 ' HB ' HD12 ' A' ' 94' ' ' ILE . 1.7 t -47.45 173.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.419 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -59.16 -96.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -122.47 168.49 12.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.878 ' HB2' ' OG1' ' A' ' 92' ' ' THR . . . -75.06 -62.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 2.7 t 82.35 -1.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 34' ' ' LYS . 6.7 p90 -133.61 161.44 34.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 84.2 m -104.06 124.3 48.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.688 HG21 HD11 ' A' ' 36' ' ' ILE . 43.6 t -64.02 141.57 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -97.81 85.88 3.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.96 -13.4 34.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -21.21 60.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -117.73 63.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -88.89 124.38 34.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.639 HD23 ' N ' ' A' ' 133' ' ' LEU . 0.5 OUTLIER -84.85 -5.46 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' THR . 29.6 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.516 0.198 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -169.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 2.4 mttm -133.27 167.22 20.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.718 HG12 ' CD1' ' A' ' 133' ' ' LEU . 60.4 t -62.71 -53.01 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -61.43 -13.84 23.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.51 2.31 53.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.0 mt -84.93 152.71 23.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -163.15 167.4 11.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.5 29.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.87 8.5 67.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 27' ' ' THR . 43.0 p -108.2 159.67 16.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 110.368 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 26' ' ' THR . 3.9 p -155.96 174.0 15.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.46 90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.57 1.169 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.491 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 79.2 m-70 -122.66 158.05 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 5.6 m -133.09 115.53 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -162.29 166.85 24.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.83 HG23 HG13 ' A' ' 94' ' ' ILE . 20.2 m -101.46 122.16 43.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.92 135.29 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.496 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.2 tttt -107.21 118.68 37.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.241 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.602 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.9 t -66.49 147.16 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.821 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.08 -50.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -133.4 161.89 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.34 106.0 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.656 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -128.86 141.68 51.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.625 HG22 HG22 ' A' ' 64' ' ' VAL . 34.8 pt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 80' ' ' ARG . 2.6 mm . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.656 HG13 ' C ' ' A' ' 39' ' ' ASN . 99.5 t -134.16 140.11 46.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.518 ' CG ' HD11 ' A' ' 76' ' ' LEU . 32.9 mt-10 -90.76 128.66 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.55 153.57 45.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.456 HD21 ' SG ' ' A' ' 74' ' ' CYS . 5.8 tt -100.82 116.44 32.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.923 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.92 152.33 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.501 ' O ' HG22 ' A' ' 127' ' ' VAL . . . 170.34 -167.94 41.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.467 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 2.2 t70 -128.77 -179.7 5.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 72' ' ' THR . 4.2 pt-20 -46.1 -26.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 17.3 p -67.04 -78.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.33 -173.21 21.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.456 ' SG ' HD21 ' A' ' 67' ' ' LEU . 8.2 p -134.58 169.05 17.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.623 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.05 162.17 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -88.29 100.91 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.792 ' CE2' HD21 ' A' ' 95' ' ' LEU . 7.3 t80 -105.41 138.68 41.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 91.1 m -93.77 132.11 38.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.681 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -121.68 129.65 52.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HA ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -72.11 169.87 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' VAL . 51.0 t30 -50.26 -20.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -90.69 -59.74 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 86' ' ' LEU . 30.8 mt-30 -57.55 -41.79 81.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' GLN . 5.4 p -37.35 -47.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 84' ' ' VAL . 8.7 m-20 -55.11 -54.55 41.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.919 HD22 ' HB2' ' A' ' 119' ' ' ALA . 2.3 mt -64.34 -28.23 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.923 ' CE ' HG21 ' A' ' 68' ' ' ILE . 60.6 mmm -93.16 35.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.476 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.2 158.38 88.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.32 13.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.27 27.64 51.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -128.95 137.78 51.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.504 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 21.8 m -93.7 129.66 39.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.799 HG11 ' O ' ' A' ' 86' ' ' LEU . 35.0 m -141.36 152.69 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.83 HG13 HG23 ' A' ' 32' ' ' THR . 4.7 mt -111.65 149.37 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.997 HD22 HD21 ' A' ' 109' ' ' LEU . 2.8 mp -110.95 128.3 55.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -119.66 121.12 38.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 71.91 26.48 2.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.574 ' CB ' HD23 ' A' ' 95' ' ' LEU . 70.0 p -70.35 127.7 33.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 9.1 ptm180 -102.89 159.26 15.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -108.18 122.59 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.414 ' OD1' ' NH2' ' A' ' 99' ' ' ARG . 4.0 m-20 -95.26 124.43 39.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.432 ' HE3' ' O ' ' A' ' 106' ' ' THR . 8.5 tpt -72.99 120.78 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' GLY . 5.3 t80 -112.27 158.97 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' A' ' 106' ' ' THR . 3.5 ptpt -39.85 95.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.663 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.63 41.4 73.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -170.87 -179.37 2.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 110.349 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -149.94 172.95 14.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -155.03 159.89 40.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.997 HD21 HD22 ' A' ' 95' ' ' LEU . 34.3 tp -96.71 136.15 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -152.52 178.57 29.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 t -132.92 126.37 53.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.88 170.56 16.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -59.52 -22.26 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 7.2 m95 -93.92 25.49 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -146.5 145.43 14.33 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.84 158.86 43.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 0.769 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 mt -78.81 155.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.3 tt0 -94.76 -53.05 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.919 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 84.16 44.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.607 HG21 HG23 ' A' ' 32' ' ' THR . 2.1 t -47.83 172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -62.89 -108.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.86 178.15 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.504 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -113.86 125.76 54.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 t -91.25 3.02 55.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 6.4 p90 -117.01 160.69 20.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 60.6 m -106.72 117.23 33.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.821 HG21 HD11 ' A' ' 36' ' ' ILE . 59.7 t -54.66 148.01 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.455 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 7.0 tttt -105.58 102.34 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.36 53.99 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.45 -47.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.565 ' O ' HD23 ' A' ' 133' ' ' LEU . 41.2 t30 -87.55 46.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -59.41 133.77 56.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.718 ' CD1' HG12 ' A' ' 19' ' ' VAL . 6.0 mt -94.91 -14.65 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.48 0.181 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 1.3 m -102.44 -170.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 31' ' ' LEU . 6.4 mttt -135.11 -179.98 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.752 HG12 HD11 ' A' ' 133' ' ' LEU . 94.2 t -74.72 -39.85 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -71.62 -8.54 54.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.57 -4.44 50.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -79.92 154.24 28.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.25 168.83 8.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.43 ' HB3' ' SD ' ' A' ' 102' ' ' MET . 18.4 Cg_endo -75.0 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.553 1.817 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.08 33.85 5.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 27' ' ' THR . 68.2 p -128.64 160.04 33.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 26' ' ' THR . 2.4 p -152.68 167.4 29.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.62 93.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -122.35 144.63 48.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 0.0 109.575 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 17' ' ' VAL . 26.8 m -124.55 113.24 17.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -161.37 168.73 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.586 HG23 HG13 ' A' ' 94' ' ' ILE . 27.6 m -104.31 108.44 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -101.71 136.99 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.4 tttt -110.92 119.94 40.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.6 t -66.32 145.64 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.631 HD11 HG21 ' A' ' 127' ' ' VAL . 1.9 mm -121.88 -47.72 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.9 mt-10 -135.46 160.6 37.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.13 107.29 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.674 ' C ' HG13 ' A' ' 64' ' ' VAL . 1.5 m-80 -139.04 154.16 48.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.8 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mm . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.674 HG13 ' C ' ' A' ' 39' ' ' ASN . 79.4 t -135.0 137.53 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.651 ' HB3' HD11 ' A' ' 76' ' ' LEU . 59.4 mt-10 -87.88 140.33 29.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 10.8 m -136.91 148.28 46.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 67' ' ' LEU . 14.6 tp -93.99 116.07 28.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.949 HG21 ' HE1' ' A' ' 87' ' ' MET . 0.1 OUTLIER -129.49 154.18 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.575 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 167.8 -170.14 41.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -126.63 -179.29 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -25.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.429 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.7 p -70.68 -79.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.16 -172.26 17.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.457 ' CA ' HG11 ' A' ' 19' ' ' VAL . 24.0 p -142.38 169.7 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.592 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.0 163.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -84.67 104.08 14.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.852 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.8 t80 -103.76 144.08 31.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.563 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 56.6 m -101.91 130.67 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.744 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -121.52 133.59 55.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -72.85 169.16 17.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.438 ' O ' HG12 ' A' ' 84' ' ' VAL . 16.3 p-10 -47.91 -23.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.4 OUTLIER -89.25 -59.35 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -54.7 -42.1 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.3 p -37.58 -45.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -58.71 -53.72 55.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.837 HD22 ' HB2' ' A' ' 119' ' ' ALA . 12.3 mt -63.94 -31.53 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.949 ' HE1' HG21 ' A' ' 68' ' ' ILE . 57.8 mmm -91.11 37.36 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.455 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -71.23 157.06 90.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 131.64 14.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.62 19.85 59.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -122.62 151.37 41.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.849 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 48.2 m -111.83 127.73 55.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.937 HG12 ' HA ' ' A' ' 119' ' ' ALA . 35.3 m -138.51 155.79 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.586 HG13 HG23 ' A' ' 32' ' ' THR . 34.3 mt -109.22 152.88 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.852 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.7 mp -118.39 114.63 23.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -109.17 118.77 37.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.0 t30 80.79 21.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 p -67.02 127.91 34.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.41 146.24 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.44 HD11 HD13 ' A' ' 109' ' ' LEU . 24.5 mm -95.29 124.83 48.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.42 124.86 38.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.43 ' SD ' ' HB3' ' A' ' 24' ' ' PRO . 6.1 tpt -74.56 98.81 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 106' ' ' THR . 10.1 t80 -87.99 159.6 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.436 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 29.5 mtmt -40.16 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.816 ' O ' HG23 ' A' ' 106' ' ' THR . . . 53.46 37.16 55.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.2 p -163.15 174.29 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -143.27 163.67 32.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -153.26 166.73 31.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.491 ' CB ' HD11 ' A' ' 75' ' ' ILE . 13.8 tp -95.83 137.5 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -152.48 173.81 31.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 72.2 t -135.92 136.02 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.54 175.84 6.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -21.43 61.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -94.77 27.47 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.437 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -146.5 136.83 6.44 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.59 154.02 48.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.0 mt -78.14 156.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.726 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.6 tt0 -95.75 -60.11 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.937 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 88.84 36.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.528 HG21 HG23 ' A' ' 32' ' ' THR . 1.6 t -41.07 162.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.76 88.46 1.59 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 56.08 166.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.849 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -105.69 148.57 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.5 t -101.99 19.52 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.946 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -136.98 165.72 25.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.7 m -106.61 109.97 22.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.631 HG21 HD11 ' A' ' 36' ' ' ILE . 52.9 t -54.9 146.44 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 130' ' ' ASP . 3.5 ttpt -101.19 83.74 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.18 65.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -163.89 -42.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -85.19 50.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 132' ' ' ASN . 0.5 OUTLIER -76.16 143.1 41.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.752 HD11 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.05 21.04 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.471 0.177 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.86 HG13 HD13 ' A' ' 31' ' ' LEU . 14.6 p -95.49 173.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.593 ' H ' HG22 ' A' ' 17' ' ' VAL . 4.1 mmtt -121.71 171.73 8.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.598 HG12 ' CD1' ' A' ' 133' ' ' LEU . 94.8 t -73.19 -42.98 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.93 -7.13 32.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -92.46 -15.31 27.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.7 154.04 37.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.22 158.4 29.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB3' ' CE ' ' A' ' 102' ' ' MET . 18.2 Cg_endo -75.02 56.84 4.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' C ' HG23 ' A' ' 26' ' ' THR . . . 177.62 48.72 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.51 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 40.8 p -152.98 151.34 30.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -136.64 165.72 25.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.87 92.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.51 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.1 m-70 -115.2 158.87 21.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.592 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.409 HG23 ' HD3' ' A' ' 96' ' ' ARG . 32.5 m -138.91 105.7 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.86 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -154.17 163.48 40.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.692 HG23 HG13 ' A' ' 94' ' ' ILE . 8.7 m -97.35 108.3 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.5 m -101.74 137.19 30.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.9 tttt -108.15 120.54 42.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.5 t -67.88 145.14 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -120.22 -48.74 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 4.5 mt-10 -139.01 165.24 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.447 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -153.82 106.3 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.522 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -129.17 142.04 50.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.515 HG22 HG22 ' A' ' 64' ' ' VAL . 29.3 pt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.411 HD12 ' CG2' ' A' ' 78' ' ' THR . 2.2 mm . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.522 HG13 ' C ' ' A' ' 39' ' ' ASN . 96.4 t -130.04 141.33 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -94.52 127.93 40.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.0 m -125.58 148.82 48.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 67' ' ' LEU . 15.8 tp -97.31 117.82 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.89 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.57 153.32 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.437 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 170.11 -170.64 43.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.592 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -124.86 -179.38 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -31.2 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.449 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.7 p -63.47 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.83 -172.84 18.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.117 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.434 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 25.8 p -137.02 168.89 18.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.568 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.98 163.22 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 101.61 14.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.667 ' CE2' HD21 ' A' ' 95' ' ' LEU . 10.4 t80 -107.28 133.36 51.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 31.2 m -86.71 135.94 33.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.341 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.596 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -122.65 129.48 51.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.44 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.15 165.76 23.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.54 ' O ' HG12 ' A' ' 84' ' ' VAL . 31.5 t30 -46.94 -23.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.44 ' N ' ' C ' ' A' ' 80' ' ' ARG . 1.7 m-20 -87.65 -61.53 1.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 84' ' ' VAL . 31.4 mt-30 -54.39 -39.21 67.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.9 p -38.05 -42.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.1 -56.17 25.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.973 HD22 ' HB2' ' A' ' 119' ' ' ALA . 13.5 mt -64.07 -26.07 68.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.89 ' CE ' HG21 ' A' ' 68' ' ' ILE . 51.5 mmm -97.46 44.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.89 153.74 80.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.447 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.04 125.66 9.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.5 28.37 22.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.087 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.15 161.19 35.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.665 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 82.0 m -116.01 137.86 51.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.56 HG11 ' O ' ' A' ' 86' ' ' LEU . 31.1 m -153.43 156.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.692 HG13 HG23 ' A' ' 32' ' ' THR . 12.9 mt -106.2 156.77 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.667 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.5 mp -117.67 114.08 22.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.409 ' HD3' HG23 ' A' ' 30' ' ' THR . 0.4 OUTLIER -106.14 130.99 53.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.0 t30 65.9 33.03 8.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.557 ' HB2' HD11 ' A' ' 109' ' ' LEU . 14.0 p -80.64 130.49 35.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -106.44 165.03 11.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.6 mm -117.19 120.73 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.37 125.59 40.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.51 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -72.38 101.71 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 111.044 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.1 t80 -89.08 158.88 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.32 97.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.812 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.99 32.33 62.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.812 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.1 p -163.07 -173.95 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.393 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -153.44 163.48 39.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -147.01 156.73 43.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.248 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.578 ' CD2' HD23 ' A' ' 95' ' ' LEU . 35.4 tp -97.48 134.61 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -148.9 164.78 29.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.8 131.33 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.42 176.25 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -40.94 89.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -68.37 -15.92 63.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.32 145.42 16.53 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.6 ptt85 -142.75 158.78 43.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.434 ' HB ' HD13 ' A' ' 86' ' ' LEU . 10.7 mt -77.09 156.34 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.685 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -99.79 -57.51 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.973 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 83.87 55.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.57 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.0 OUTLIER -42.33 -59.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.57 ' H ' HG23 ' A' ' 120' ' ' THR . . . 149.62 -78.61 0.22 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.0 156.12 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.665 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -97.24 140.66 31.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.25 6.21 32.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.158 . . . . 0.0 109.97 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 4.7 p90 -121.53 167.0 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.2 m -109.28 109.33 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 36' ' ' ILE . 61.9 t -54.85 147.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 131' ' ' ASN . 4.0 ttmm -104.5 96.09 6.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.72 57.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -147.31 -46.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.413 ' CB ' ' HD2' ' A' ' 128' ' ' LYS . 57.6 t30 -83.54 54.22 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -70.23 134.51 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.598 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.9 mt -95.84 -18.75 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.542 0.21 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.82 HG13 HD13 ' A' ' 31' ' ' LEU . 8.3 p -91.08 177.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.731 ' H ' HG22 ' A' ' 17' ' ' VAL . 8.1 mmtp -123.97 163.14 21.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.86 HG12 HD11 ' A' ' 133' ' ' LEU . 57.7 t -64.13 -49.05 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -64.77 -10.03 24.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.75 2.31 53.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 90.4 mt -79.66 150.34 30.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 5.2 mttt -158.74 157.47 28.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 141.62 26.64 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.89 10.57 56.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.2 p -118.18 158.33 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p -146.58 179.32 7.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.438 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 39.39 92.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -122.58 161.22 24.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.588 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -141.27 109.73 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.82 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -155.47 171.09 20.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 HG13 ' A' ' 94' ' ' ILE . 25.0 m -106.02 106.98 17.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.7 m -101.75 134.43 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HD3' HD13 ' A' ' 36' ' ' ILE . 1.3 tttt -108.4 120.51 42.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.5 t -64.42 144.95 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.628 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -120.57 -50.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -135.33 159.76 40.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -150.32 104.78 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.681 ' C ' HG13 ' A' ' 64' ' ' VAL . 4.5 m-80 -138.95 146.27 40.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.744 HG22 HG22 ' A' ' 64' ' ' VAL . 50.2 pt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.744 HG22 HG22 ' A' ' 40' ' ' ILE . 72.8 t -136.29 139.0 46.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -87.78 126.94 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -125.69 150.95 47.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.251 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.48 119.91 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.904 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.64 152.8 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.466 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 169.96 -164.28 37.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.571 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 3.9 t70 -135.07 -179.51 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 72' ' ' THR . 14.8 pt-20 -44.7 -33.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.418 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 11.5 p -62.15 -78.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.6 -173.09 19.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.411 ' CA ' HG11 ' A' ' 19' ' ' VAL . 13.8 p -140.07 164.09 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.804 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -143.99 163.61 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -89.76 102.02 14.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.598 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.9 t80 -104.4 144.85 31.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.594 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 40.9 m -100.0 132.4 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.737 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -118.76 132.89 56.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.439 ' C ' ' N ' ' A' ' 82' ' ' ASP . 6.2 mtt180 -72.5 164.94 25.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.549 ' O ' HG12 ' A' ' 84' ' ' VAL . 7.4 p-10 -46.49 -23.67 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.439 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -87.89 -63.38 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' LEU . 15.0 mt-30 -52.22 -36.61 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.6 p -39.54 -42.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.01 -50.95 71.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.922 HD22 ' HB2' ' A' ' 119' ' ' ALA . 4.9 mt -63.07 -42.16 99.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.904 ' CE ' HG21 ' A' ' 68' ' ' ILE . 54.4 mmm -80.95 50.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -82.02 151.46 66.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.482 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.02 132.93 15.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.54 23.66 53.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.37 161.5 29.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.492 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 63.3 m -116.66 129.47 56.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.87 HG12 ' HA ' ' A' ' 119' ' ' ALA . 31.1 m -141.0 155.38 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.469 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 31.5 mt -110.9 151.84 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.772 HD22 ' CD2' ' A' ' 109' ' ' LEU . 1.8 mp -116.1 118.26 32.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 128.79 56.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 t30 69.2 22.47 6.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.477 ' CB ' HD23 ' A' ' 95' ' ' LEU . 88.9 p -70.44 133.14 46.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.74 157.74 18.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.2 mm -107.59 125.54 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.64 126.08 40.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.52 96.76 4.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 106' ' ' THR . 6.0 t80 -85.15 156.84 20.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.81 97.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.894 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.83 42.57 92.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -175.18 -179.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.44 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -150.46 166.19 30.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -150.67 163.72 37.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.772 ' CD2' HD22 ' A' ' 95' ' ' LEU . 29.2 tp -97.02 135.82 38.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.41 170.27 30.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.476 HG13 ' C ' ' A' ' 115' ' ' GLY . 2.1 t -130.67 112.47 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -68.85 176.15 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -20.14 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -94.34 22.2 6.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 108.004 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.476 ' C ' HG13 ' A' ' 111' ' ' VAL . . . -143.05 143.43 12.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -136.3 154.7 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 110.262 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.423 ' HB ' HD13 ' A' ' 86' ' ' LEU . 5.7 mt -77.36 155.52 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.692 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -97.54 -59.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.922 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 85.05 44.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 93' ' ' VAL . 1.8 t -47.83 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.441 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -63.04 -98.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.65 168.46 15.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.492 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -94.52 125.47 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.1 p -92.7 8.67 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.571 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.9 p90 -126.2 160.18 30.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 97.3 m -104.17 112.2 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.628 HG21 HD11 ' A' ' 36' ' ' ILE . 43.0 t -56.28 141.68 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 8.9 tttp -98.49 96.48 8.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.33 56.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -146.32 -46.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.404 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 51.6 t30 -85.61 64.6 8.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -82.09 138.28 34.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.86 HD11 HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -107.31 10.06 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.525 0.202 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.861 HG13 HD13 ' A' ' 31' ' ' LEU . 9.2 p -94.83 -178.25 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.798 ' H ' HG22 ' A' ' 17' ' ' VAL . 4.6 mmtm -126.13 170.66 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.786 HG12 HD11 ' A' ' 133' ' ' LEU . 90.5 t -73.52 -39.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.32 -5.0 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -97.04 -8.17 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.559 HD13 HD11 ' A' ' 100' ' ' ILE . 73.2 mt -70.42 140.64 52.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -137.79 160.22 65.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.447 ' HB3' ' CE ' ' A' ' 102' ' ' MET . 18.4 Cg_endo -74.97 55.51 3.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.464 ' C ' HG23 ' A' ' 26' ' ' THR . . . 166.67 62.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 71.3 p -153.03 147.55 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 28' ' ' GLY . 19.0 p -133.79 168.12 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 42.79 95.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.9 m-70 -122.77 159.26 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.569 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.5 m -140.54 104.75 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.861 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -152.09 167.08 29.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.715 HG23 HG13 ' A' ' 94' ' ' ILE . 2.9 m -102.49 107.84 18.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.9 m -103.59 134.24 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.581 ' HG3' ' HB2' ' A' ' 123' ' ' ALA . 10.0 tttt -107.1 120.01 40.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 91' ' ' ALA . 2.4 t -65.09 146.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.498 HD13 ' HD3' ' A' ' 34' ' ' LYS . 1.8 mm -120.91 -47.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 6.1 mt-10 -138.22 163.52 31.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.56 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -155.38 107.48 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.591 ' C ' HG13 ' A' ' 64' ' ' VAL . 2.1 m-80 -138.98 145.47 39.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.503 HG22 HG22 ' A' ' 64' ' ' VAL . 50.0 pt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.431 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.4 mm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.591 HG13 ' C ' ' A' ' 39' ' ' ASN . 78.5 t -127.58 140.19 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -90.63 124.61 35.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 5.1 m -123.58 152.12 42.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 31.6 tp -100.88 120.68 40.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.94 HG21 ' HE1' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.38 153.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.593 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 171.31 -175.67 44.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD1' ' CD1' ' A' ' 125' ' ' PHE . 11.1 t0 -129.14 -178.83 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.11 -27.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.456 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 9.3 p -69.97 -79.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.14 -172.5 18.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.424 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 27.7 p -140.44 168.27 20.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.611 ' CD1' HD11 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -149.38 163.55 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 134' ' ' SER . 0.0 OUTLIER -87.09 101.84 13.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.882 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.7 t80 -101.42 143.28 31.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 30.1 m -102.12 126.51 49.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.443 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -117.63 133.27 56.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.2 mtt180 -72.6 169.69 16.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.421 ' O ' HG12 ' A' ' 84' ' ' VAL . 65.6 t30 -48.67 -22.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -89.84 -59.51 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -53.56 -40.31 65.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.9 p -38.59 -46.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -54.95 -56.09 23.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.884 HD22 ' HB2' ' A' ' 119' ' ' ALA . 13.0 mt -63.84 -30.32 71.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.94 ' HE1' HG21 ' A' ' 68' ' ' ILE . 60.4 mmm -95.67 43.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -76.17 155.66 84.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 134.56 17.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.7 22.74 63.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -128.01 154.1 46.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.828 HG21 ' HA ' ' A' ' 123' ' ' ALA . 96.4 m -110.52 137.12 48.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.701 ' HA ' HG22 ' A' ' 120' ' ' THR . 15.1 m -148.54 162.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.715 HG13 HG23 ' A' ' 32' ' ' THR . 16.4 mt -113.0 155.15 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.882 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.5 mp -120.01 113.85 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -108.39 127.87 54.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.83 19.22 3.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.4 p -69.62 128.42 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 154.86 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.559 HD11 HD13 ' A' ' 22' ' ' LEU . 19.1 mm -99.78 124.28 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.9 125.35 39.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.478 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -77.87 109.33 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 104' ' ' LYS . 16.6 t80 -99.82 158.27 15.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.56 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 40.7 mtmt -40.61 97.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 106' ' ' THR . . . 55.2 42.41 82.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -172.64 179.48 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.385 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -153.16 167.86 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.078 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -153.84 166.47 32.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.454 HD13 HD11 ' A' ' 100' ' ' ILE . 15.2 tp -95.49 137.45 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.41 178.31 27.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.429 ' CG1' ' C ' ' A' ' 115' ' ' GLY . 59.4 t -136.55 133.56 49.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.23 175.27 10.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.405 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -64.24 -26.7 68.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.405 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 25.1 m95 -89.67 9.83 25.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.429 ' C ' ' CG1' ' A' ' 111' ' ' VAL . . . -125.43 142.63 13.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.55 163.09 33.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.438 ' HB ' HD13 ' A' ' 86' ' ' LEU . 50.0 mt -78.17 157.29 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.4 tt0 -102.91 -46.18 4.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.884 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 75.05 63.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.815 HG21 HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -38.21 -88.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.654 ' H ' HG23 ' A' ' 120' ' ' THR . . . 161.97 -34.84 0.36 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -159.72 149.86 18.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.828 ' HA ' HG21 ' A' ' 92' ' ' THR . . . -74.8 -67.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 1.1 m 85.29 -8.82 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.489 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 3.8 p90 -127.48 156.31 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.9 m -93.85 109.99 21.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 69' ' ' GLY . 76.1 t -62.31 148.0 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 130' ' ' ASP . 1.4 ttpt -96.03 80.28 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.78 62.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -160.11 -43.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -83.52 50.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -72.4 143.82 48.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.786 HD11 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.29 22.17 14.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CE2' HG22 ' A' ' 30' ' ' THR . 4.6 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.5 0.191 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.544 HG23 HD13 ' A' ' 31' ' ' LEU . 3.1 m -103.7 -169.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.573 ' C ' HD12 ' A' ' 31' ' ' LEU . 5.4 mttm -130.05 -176.85 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.807 HG12 HD11 ' A' ' 133' ' ' LEU . 91.3 t -76.59 -44.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -69.48 -7.04 34.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -3.88 51.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.8 mt -81.53 150.81 28.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.46 164.3 15.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.94 10.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.52 26.95 5.43 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 27' ' ' THR . 42.5 p -132.71 162.37 31.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 26' ' ' THR . 2.6 p -153.05 168.23 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.78 93.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -122.62 160.42 25.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.605 HG22 ' CE2' ' A' ' 16' ' ' PHE . 2.9 m -136.6 112.15 9.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -160.06 164.98 32.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.799 HG23 HG13 ' A' ' 94' ' ' ILE . 1.1 m -98.27 115.14 27.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.82 136.84 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -110.16 120.86 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.5 t -66.94 143.95 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.584 HD11 HG21 ' A' ' 127' ' ' VAL . 2.1 mm -118.04 -48.98 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.9 mt-10 -137.51 159.04 43.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -150.24 107.97 3.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.706 ' C ' HG13 ' A' ' 64' ' ' VAL . 11.2 m-80 -139.27 152.59 47.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.0 pt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.706 HG13 ' C ' ' A' ' 39' ' ' ASN . 70.0 t -130.24 139.26 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -91.97 116.05 28.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.7 m -113.53 151.45 31.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.346 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.576 HD13 ' OE2' ' A' ' 129' ' ' GLU . 3.4 tt -101.12 118.41 36.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.833 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -130.75 154.99 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.55 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 171.81 -165.19 37.98 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.603 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -136.76 -179.24 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -46.91 -38.57 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 p -59.85 -82.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.21 -172.17 12.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.588 ' SG ' HG13 ' A' ' 127' ' ' VAL . 2.2 m -143.58 161.26 38.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -148.04 164.14 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.454 ' N ' HG12 ' A' ' 75' ' ' ILE . 6.2 mt -88.09 122.46 31.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CE2' HD21 ' A' ' 95' ' ' LEU . 8.4 t80 -122.11 137.05 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.9 m -92.12 125.3 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -112.08 129.71 56.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.457 ' C ' ' N ' ' A' ' 82' ' ' ASP . 13.7 mtt-85 -72.88 164.48 26.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.536 ' O ' HG12 ' A' ' 84' ' ' VAL . 4.3 t-20 -44.32 -25.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.457 ' N ' ' C ' ' A' ' 80' ' ' ARG . 35.5 t0 -87.07 -63.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' LEU . 20.1 mt-30 -52.6 -41.62 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.9 p -36.84 -42.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -59.25 -56.42 22.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.958 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.9 mt -64.08 -32.54 74.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.833 ' CE ' HG21 ' A' ' 68' ' ' ILE . 57.2 mmm -88.01 40.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.459 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -76.27 157.67 82.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.436 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.05 132.96 15.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.34 28.05 56.47 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.63 153.79 46.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 123' ' ' ALA . 15.8 m -107.75 130.36 54.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.421 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.609 HG11 ' O ' ' A' ' 86' ' ' LEU . 35.0 m -145.83 156.49 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.799 HG13 HG23 ' A' ' 32' ' ' THR . 9.5 mt -112.5 153.38 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' A' ' 77' ' ' PHE . 3.1 mp -112.53 115.98 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 9.2 mtp180 -112.7 118.85 36.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 114' ' ' TRP . 1.0 OUTLIER 76.42 33.02 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -79.11 138.3 37.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -111.33 161.1 16.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 mm -112.23 121.3 64.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 107' ' ' MET . 0.5 OUTLIER -94.72 124.63 38.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -78.39 94.84 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 106' ' ' THR . 9.7 t80 -81.56 157.49 24.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -40.92 97.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.883 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.05 44.34 94.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.883 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -175.65 -179.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.356 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.404 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 0.9 OUTLIER -154.65 153.51 31.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 25.0 mtm105 -138.98 166.94 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.724 ' HB3' HD11 ' A' ' 75' ' ' ILE . 22.2 tp -96.69 137.92 35.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.69 163.92 30.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.496 HG13 ' C ' ' A' ' 115' ' ' GLY . 2.4 t -121.38 114.12 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.21 175.77 3.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -63.7 -20.58 65.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.425 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 10.6 m95 -95.33 20.98 8.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.017 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.496 ' C ' HG13 ' A' ' 111' ' ' VAL . . . -141.83 148.37 20.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -144.99 173.75 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.326 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 51.1 mt -94.82 157.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.658 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 16.2 tp10 -100.99 -47.12 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.958 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 82.44 47.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.469 HG22 ' CA ' ' A' ' 93' ' ' VAL . 1.7 t -48.55 171.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -60.53 -106.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.08 155.01 39.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.612 ' HB2' HG23 ' A' ' 92' ' ' THR . . . -79.9 142.23 35.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.12 8.91 21.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.603 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 5.3 p90 -124.54 158.78 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 87.1 m -99.67 108.65 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.588 HG13 ' SG ' ' A' ' 74' ' ' CYS . 49.8 t -56.25 128.48 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.442 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 7.1 tttp -90.67 95.62 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.576 ' OE2' HD13 ' A' ' 67' ' ' LEU . 3.7 mt-10 -77.65 53.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.82 -44.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.442 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 54.3 t30 -86.89 46.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -64.14 142.85 58.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.807 HD11 HG12 ' A' ' 19' ' ' VAL . 1.3 mt -108.74 4.42 23.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.798 ' CE2' HG22 ' A' ' 30' ' ' THR . 4.5 m-85 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.532 0.206 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.54 -170.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.575 ' C ' HD12 ' A' ' 31' ' ' LEU . 8.2 mttm -133.72 176.36 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.762 HG12 HD11 ' A' ' 133' ' ' LEU . 98.2 t -71.76 -45.94 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -6.63 30.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.93 10.11 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.7 mt -86.95 148.15 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.07 168.05 7.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 155.38 42.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.18 16.51 78.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 27' ' ' THR . 43.9 p -117.56 159.46 22.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 26' ' ' THR . 5.9 p -156.5 174.16 15.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.11 78.34 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.3 m-70 -105.58 157.8 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.593 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.798 HG22 ' CE2' ' A' ' 16' ' ' PHE . 15.9 m -139.5 107.51 5.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.575 HD12 ' C ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -153.92 164.18 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.735 HG23 HG13 ' A' ' 94' ' ' ILE . 34.8 m -99.84 114.85 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.0 m -110.04 131.44 61.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 5.4 tttt -103.73 121.87 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.571 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -66.0 146.87 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.483 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -121.35 -51.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 8.9 mt-10 -139.65 158.7 43.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -145.61 109.82 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.674 ' C ' HG13 ' A' ' 64' ' ' VAL . 26.3 m-80 -138.92 147.2 42.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.0 pt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.674 HG13 ' C ' ' A' ' 39' ' ' ASN . 89.5 t -133.18 139.38 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.628 ' HB3' HD11 ' A' ' 76' ' ' LEU . 35.1 mt-10 -92.81 121.64 34.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -116.74 142.71 46.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 67' ' ' LEU . 14.5 tp -88.12 121.88 31.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.876 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -135.87 153.51 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.684 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 173.32 -165.64 37.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.592 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 1.9 t70 -137.42 -179.72 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.12 -27.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.0 p -70.66 -75.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.44 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.66 -172.45 24.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.428 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 15.7 p -135.98 171.96 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.602 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.0 163.23 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -85.5 100.81 12.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 78' ' ' THR . 2.2 t80 -105.17 149.08 26.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.606 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 16.3 m -108.12 132.91 53.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.699 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -120.56 136.1 54.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.4 mpp_? -76.41 170.65 15.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 84' ' ' VAL . 30.2 p30 -48.01 -23.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -87.32 -61.03 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.5 mt-30 -54.63 -44.79 73.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.4 p -37.8 -43.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.12 -54.09 50.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.868 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.6 mt -63.76 -43.64 95.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.876 ' CE ' HG21 ' A' ' 68' ' ' ILE . 55.0 mmm -76.5 54.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -84.0 151.0 59.75 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.97 132.7 15.76 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.515 1.798 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.59 24.75 52.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.63 170.71 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.587 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 85.0 m -124.12 130.71 53.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.854 HG12 ' HA ' ' A' ' 119' ' ' ALA . 17.5 m -141.29 159.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.735 HG13 HG23 ' A' ' 32' ' ' THR . 3.7 mt -115.16 154.01 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.819 HD22 HD21 ' A' ' 109' ' ' LEU . 2.3 mp -114.82 131.5 56.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -125.68 140.01 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m120 58.03 20.76 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 29' ' ' HIS . 85.9 p -68.26 141.85 55.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -118.91 153.88 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.1 mm -103.33 122.91 56.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.28 126.09 39.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -71.86 104.1 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.0 t80 -92.1 158.86 15.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.7 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.768 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.11 31.36 58.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.7 p -161.9 -174.82 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.497 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -149.08 173.22 13.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.0 mtm105 -155.39 163.68 39.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.819 HD21 HD22 ' A' ' 95' ' ' LEU . 25.1 tp -97.33 135.75 38.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.36 -179.27 26.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.475 HG13 ' C ' ' A' ' 115' ' ' GLY . 2.2 t -138.44 121.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.01 174.8 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.408 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -60.43 -23.32 64.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.408 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 40.9 m95 -95.27 22.04 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 108.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.475 ' C ' HG13 ' A' ' 111' ' ' VAL . . . -136.57 144.01 15.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -143.31 156.22 44.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.6 mt -77.53 156.72 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -98.84 -50.64 4.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.868 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 80.48 45.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.491 HG22 ' CA ' ' A' ' 93' ' ' VAL . 3.7 t -45.89 170.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -60.22 -100.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.48 163.61 22.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.587 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -91.05 123.82 34.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.0 m -92.8 0.97 57.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.058 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.9 p90 -117.64 163.86 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.1 m -106.4 112.49 25.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 34' ' ' LYS . 54.7 t -58.32 143.88 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -90.82 85.58 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.22 61.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -167.35 -42.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -82.46 49.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.431 ' C ' HD23 ' A' ' 133' ' ' LEU . 54.7 t-20 -73.27 145.53 46.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.762 HD11 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.62 14.06 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.52 0.2 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.867 HG13 HD13 ' A' ' 31' ' ' LEU . 9.2 p -102.8 -179.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.771 ' H ' HG22 ' A' ' 17' ' ' VAL . 5.7 mmtt -123.32 167.43 13.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.81 HG12 HD11 ' A' ' 133' ' ' LEU . 97.1 t -67.13 -55.11 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' OE2' HG22 ' A' ' 72' ' ' THR . 10.8 pt-20 -59.46 -14.4 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -11.02 58.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.9 mt -70.91 150.04 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -159.94 170.17 9.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HB3' ' SD ' ' A' ' 102' ' ' MET . 18.5 Cg_endo -74.96 137.49 21.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.433 1.754 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.63 36.71 9.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 27' ' ' THR . 76.5 p -130.04 155.26 46.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' THR . 7.4 p -152.86 165.4 35.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.08 92.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.4 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 95.0 m-70 -122.35 161.03 24.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -141.29 110.35 6.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.867 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -156.57 170.39 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.62 HG23 HG13 ' A' ' 94' ' ' ILE . 10.8 m -105.72 109.37 21.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.26 137.73 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.36 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -111.06 118.01 34.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.606 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.7 t -65.84 145.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.855 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -121.21 -49.44 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -134.39 166.45 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -156.8 105.92 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.696 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -125.33 141.66 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.625 ' HA ' HG22 ' A' ' 64' ' ' VAL . 22.5 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.5 mm . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.696 HG13 ' C ' ' A' ' 39' ' ' ASN . 81.2 t -134.54 138.0 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HG2' HD21 ' A' ' 76' ' ' LEU . 4.0 mt-10 -87.64 133.8 33.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -131.19 147.83 52.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 108.337 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD21 ' CB ' ' A' ' 74' ' ' CYS . 5.4 tt -94.82 114.08 25.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.937 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.79 152.56 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.488 ' CA ' HG21 ' A' ' 19' ' ' VAL . . . 170.19 -156.39 26.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.532 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 3.5 t70 -136.48 -179.25 5.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 72' ' ' THR . 5.9 pt-20 -48.53 -30.76 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.432 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 17.5 p -62.33 -72.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.19 -172.63 22.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.592 ' CB ' HD21 ' A' ' 67' ' ' LEU . 1.1 p -137.56 155.7 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.719 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -134.11 163.37 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.872 ' C ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -93.67 99.85 12.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.633 ' CE2' HD21 ' A' ' 95' ' ' LEU . 16.1 t80 -103.13 150.38 23.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.599 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 24.9 m -106.2 131.84 52.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.782 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -120.9 133.96 55.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -73.17 170.86 14.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -48.51 -23.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 8.6 m-20 -89.93 -58.98 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -54.23 -41.95 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.7 p -38.36 -47.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.462 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.9 OUTLIER -53.92 -53.96 45.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.904 HD22 ' HB2' ' A' ' 119' ' ' ALA . 2.8 mt -63.7 -38.21 90.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.937 ' CE ' HG21 ' A' ' 68' ' ' ILE . 65.1 mmm -86.03 42.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.453 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -77.38 157.47 80.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.56 15.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.43 24.53 53.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -129.94 148.82 51.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.556 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 36.8 m -109.82 129.82 55.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.868 HG12 ' HA ' ' A' ' 119' ' ' ALA . 34.4 m -140.4 153.23 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.62 HG13 HG23 ' A' ' 32' ' ' THR . 57.6 mt -105.49 153.76 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.863 HD22 HD21 ' A' ' 109' ' ' LEU . 1.9 mp -118.82 116.0 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.44 133.24 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 t30 63.32 27.38 15.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.613 ' HB2' HD11 ' A' ' 109' ' ' LEU . 46.9 p -73.92 127.45 32.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.967 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.52 160.28 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 109' ' ' LEU . 13.9 mm -108.67 124.79 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.13 125.97 40.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' A' ' 24' ' ' PRO . 7.6 tpt -73.16 105.14 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 105' ' ' GLY . 4.8 t80 -93.5 159.42 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.24 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.785 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.22 36.03 56.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.1 p -162.26 179.91 7.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.414 ' C ' ' HG3' ' A' ' 108' ' ' ARG . 1.3 ptt? -151.22 154.23 36.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.414 ' HG3' ' C ' ' A' ' 107' ' ' MET . 37.0 mtt85 -142.18 166.33 25.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.863 HD21 HD22 ' A' ' 95' ' ' LEU . 66.6 tp -95.65 136.87 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.47 173.37 30.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.538 HG13 ' HA3' ' A' ' 115' ' ' GLY . 62.8 t -133.92 129.22 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -81.45 176.22 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -23.78 66.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -90.69 13.21 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 108.027 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.538 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -132.04 144.66 16.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -142.14 158.22 43.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.8 mt -77.18 156.66 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 17.6 tt0 -96.81 -61.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.904 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 85.07 42.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.5 OUTLIER -35.62 -59.46 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.594 ' H ' HG23 ' A' ' 120' ' ' THR . . . 147.48 -76.09 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.46 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.49 164.9 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.556 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -111.82 162.61 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -117.53 7.28 12.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.532 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.2 p90 -122.92 159.21 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 64.6 m -102.13 113.53 26.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.855 HG21 HD11 ' A' ' 36' ' ' ILE . 55.2 t -54.14 142.17 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.42 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 8.7 ttpt -104.25 97.76 7.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.55 -1.83 23.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.74 -23.52 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.42 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 55.9 t30 -121.17 82.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.412 ' C ' HD23 ' A' ' 133' ' ' LEU . 5.7 t-20 -96.6 133.08 41.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.81 HD11 HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -93.81 -3.7 51.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 76' ' ' LEU . 13.1 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.056 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.457 0.17 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -112.58 -171.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 5.6 mttm -134.24 170.31 15.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.772 HG12 HD11 ' A' ' 133' ' ' LEU . 82.3 t -66.45 -44.1 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.21 -8.26 37.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 1.03 54.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -82.86 153.55 25.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -166.47 170.63 5.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.06 16.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.78 41.87 5.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 70.8 p -136.71 151.24 49.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -146.92 171.38 15.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.09 93.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 92.6 m-70 -122.14 155.22 36.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 0.737 . . . . 0.0 109.583 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 3.2 m -134.52 112.13 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -160.68 161.52 32.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.723 HG23 HG21 ' A' ' 120' ' ' THR . 31.9 m -98.48 108.78 21.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -101.68 137.85 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -109.79 122.42 47.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.598 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -68.58 146.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -121.42 -50.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.4 mt-10 -133.77 160.48 37.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -154.71 106.24 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.712 ' C ' HG13 ' A' ' 64' ' ' VAL . 19.8 m-80 -138.98 151.08 46.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.712 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.1 t -138.65 138.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.729 ' HB3' HD11 ' A' ' 76' ' ' LEU . 81.9 mt-10 -89.11 134.94 33.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -133.52 144.58 49.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.559 HD21 ' SG ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -92.29 118.58 31.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.931 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.73 153.53 36.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.54 ' O ' HG22 ' A' ' 127' ' ' VAL . . . 165.47 -166.11 38.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.466 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 17.0 t0 -125.81 -179.61 4.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -46.07 -35.39 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.8 p -56.86 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.17 -173.15 18.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.093 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.559 ' SG ' HD21 ' A' ' 67' ' ' LEU . 1.6 p -138.13 171.86 13.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.652 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -152.38 162.82 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -89.9 101.64 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.666 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.7 t80 -104.86 139.1 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 36.7 m -94.75 130.73 41.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -118.42 134.86 54.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -73.66 172.37 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -52.66 -20.2 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -93.0 -55.02 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.96 -43.13 91.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLN . 4.1 p -38.24 -38.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.08 -56.43 16.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.842 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.8 mt -63.78 -24.8 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.931 ' CE ' HG21 ' A' ' 68' ' ' ILE . 55.9 mmm -96.01 38.3 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.69 155.72 88.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.446 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.04 132.28 15.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.09 21.43 59.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -123.87 152.37 42.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.574 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 62.1 m -110.56 127.79 55.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.883 HG12 ' HA ' ' A' ' 119' ' ' ALA . 29.1 m -140.98 156.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.682 HG13 HG23 ' A' ' 32' ' ' THR . 8.6 mt -111.3 157.34 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.666 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.8 mp -118.63 120.14 36.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 9.0 mtp180 -112.43 120.81 42.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.8 t30 74.94 20.21 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.8 p -66.1 122.12 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -102.88 143.02 33.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.6 mm -87.11 130.12 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.14 125.71 39.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.5 tpt -78.07 98.86 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 106' ' ' THR . 3.7 t80 -88.88 160.21 17.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.85 96.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.614 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.77 33.29 55.61 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -158.4 179.96 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.395 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.0 165.37 31.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -154.53 166.06 34.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.621 HD21 HD22 ' A' ' 95' ' ' LEU . 38.1 tp -96.69 137.28 36.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -155.94 -179.2 30.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 32.9 t -136.44 133.18 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.06 175.67 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -23.51 65.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -94.34 26.65 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.024 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.424 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -148.82 141.6 9.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.52 158.2 44.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.1 mt -77.79 156.7 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.5 tp10 -97.61 -54.21 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.343 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.883 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 84.01 39.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.723 HG21 HG23 ' A' ' 32' ' ' THR . 9.5 t -43.47 166.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.429 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -54.46 -106.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.12 171.27 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.574 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -98.04 127.37 43.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.38 8.61 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.466 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.2 p90 -129.4 167.0 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 94.3 m -113.81 114.99 27.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.657 HG21 HD11 ' A' ' 36' ' ' ILE . 75.4 t -55.04 145.6 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.482 ' HD2' ' CB ' ' A' ' 131' ' ' ASN . 8.9 ttmm -101.3 92.14 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.96 57.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -150.89 -46.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.482 ' CB ' ' HD2' ' A' ' 128' ' ' LYS . 51.6 t30 -86.31 57.1 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.459 ' C ' HD23 ' A' ' 133' ' ' LEU . 52.7 t-20 -79.52 145.04 33.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.772 HD11 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -115.66 13.6 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.485 0.183 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.751 HG13 HD13 ' A' ' 31' ' ' LEU . 11.5 p -95.97 174.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.634 ' H ' HG22 ' A' ' 17' ' ' VAL . 3.7 mmtp -118.88 169.8 9.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.756 HG12 ' CD1' ' A' ' 133' ' ' LEU . 98.5 t -70.58 -45.55 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.49 -10.31 33.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -88.09 -11.88 45.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 100' ' ' ILE . 49.0 mt -66.66 154.11 41.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -167.31 165.44 8.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 135.21 18.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.47 8.41 57.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.428 ' C ' HG23 ' A' ' 27' ' ' THR . 58.9 p -104.34 159.47 15.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.78 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 26' ' ' THR . 20.3 p -154.42 171.59 19.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.49 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.64 92.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -120.39 158.35 27.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 109.615 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 50.9 m -137.88 105.47 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.751 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -152.08 169.09 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.856 HG23 HG13 ' A' ' 94' ' ' ILE . 20.5 m -105.79 109.04 20.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.0 m -101.99 135.8 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -108.1 119.72 40.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.529 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.6 t -64.24 143.5 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.569 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -119.48 -50.23 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -137.03 155.64 49.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.244 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -146.84 107.07 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.72 ' O ' HG13 ' A' ' 64' ' ' VAL . 14.0 m-80 -137.91 148.76 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.416 HG22 HG22 ' A' ' 64' ' ' VAL . 25.4 pt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.771 HG23 HG23 ' A' ' 78' ' ' THR . 4.2 mm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 39' ' ' ASN . 74.5 t -130.78 138.58 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -97.15 97.56 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.96 148.21 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 27.5 tp -95.37 120.41 35.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.866 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -135.57 153.0 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.415 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 167.95 -163.04 36.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.501 ' OD1' HG23 ' A' ' 19' ' ' VAL . 3.7 p-10 -137.49 -178.65 5.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 70' ' ' ASP . 4.2 pt-20 -38.07 -57.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.48 ' HG1' ' CG ' ' A' ' 70' ' ' ASP . 34.9 p -40.28 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.64 -172.33 19.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.406 ' CA ' HG11 ' A' ' 19' ' ' VAL . 2.5 p -139.72 167.29 22.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.762 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -148.57 163.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 76' ' ' LEU . 11.7 mt -86.39 122.06 29.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CE2' HD21 ' A' ' 95' ' ' LEU . 2.0 t80 -125.23 132.99 52.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.771 HG23 HG23 ' A' ' 63' ' ' ILE . 70.8 m -86.74 129.62 34.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.65 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -116.31 132.14 56.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.6 mtm180 -72.88 166.12 23.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.507 ' O ' HG12 ' A' ' 84' ' ' VAL . 1.9 p-10 -47.63 -22.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 80' ' ' ARG . 8.3 m-20 -88.87 -61.92 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 84' ' ' VAL . 30.7 mt-30 -53.86 -39.71 65.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 81' ' ' ASN . 3.0 p -39.15 -43.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -54.99 38.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.942 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.9 mt -63.98 -39.1 93.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.866 ' CE ' HG21 ' A' ' 68' ' ' ILE . 52.7 mmm -82.5 50.09 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -85.04 154.07 60.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.544 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 125.09 9.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.01 32.04 11.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.04 155.85 49.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.7 m -110.1 128.45 55.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 119' ' ' ALA . 27.3 m -139.55 152.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.856 HG13 HG23 ' A' ' 32' ' ' THR . 11.0 mt -108.39 155.34 9.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.583 HD22 ' CD2' ' A' ' 109' ' ' LEU . 1.8 mp -119.26 130.1 55.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.2 128.14 48.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.0 18.9 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 p -65.52 128.96 38.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 137.38 44.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.472 HD11 HD13 ' A' ' 22' ' ' LEU . 22.4 mm -85.89 126.36 40.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 107' ' ' MET . 2.9 m-20 -94.99 124.65 39.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.14 101.05 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 106' ' ' THR . 7.9 t80 -88.75 157.46 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -41.4 97.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.885 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.3 42.88 95.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -174.84 -177.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.425 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 1.2 ptt? -151.38 167.52 27.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.95 165.1 37.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' A' ' 75' ' ' ILE . 21.1 tp -97.21 135.57 38.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.0 164.73 30.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.48 HG13 ' HA3' ' A' ' 115' ' ' GLY . 2.3 t -126.13 121.32 59.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.4 176.13 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -22.6 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -94.95 27.33 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.017 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.48 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -145.98 138.28 7.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.91 152.89 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.794 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.0 mt -78.47 156.1 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.672 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.6 tt0 -98.45 -55.48 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.942 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 83.74 48.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.513 HG21 HG23 ' A' ' 32' ' ' THR . 1.9 t -50.62 173.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -62.31 -98.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.46 166.64 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.06 130.58 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.42 2.63 50.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' A' ' 70' ' ' ASP . 5.4 p90 -120.64 161.11 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 73.2 m -103.2 108.51 19.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.569 HG21 HD11 ' A' ' 36' ' ' ILE . 48.3 t -55.54 147.98 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 131' ' ' ASN . 7.0 ttpp -108.43 97.1 6.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.04 54.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -145.81 -46.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 128' ' ' LYS . 49.4 t30 -84.31 49.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -65.55 137.29 57.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.756 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.5 mt -97.22 -11.02 24.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.529 0.204 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.9 HG13 HD13 ' A' ' 31' ' ' LEU . 12.8 p -88.72 173.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.601 ' H ' HG22 ' A' ' 17' ' ' VAL . 7.5 mmtp -123.62 167.81 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.733 HG12 HD11 ' A' ' 133' ' ' LEU . 96.2 t -67.59 -46.51 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -10.18 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -6.31 54.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.4 mt -73.14 151.54 41.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -166.18 170.56 5.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.93 19.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 31.75 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 27' ' ' THR . 80.9 p -126.18 155.45 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 110.433 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 26' ' ' THR . 2.6 p -152.26 171.97 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.31 92.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -117.71 155.01 30.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.591 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.1 m -135.53 104.14 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.9 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -153.13 167.72 28.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.801 HG23 HG13 ' A' ' 94' ' ' ILE . 5.4 m -101.68 108.54 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.0 m -101.23 130.89 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -107.37 118.82 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.592 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.7 t -66.21 145.64 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.807 HD11 HG21 ' A' ' 127' ' ' VAL . 2.1 mm -120.5 -49.24 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 4.8 mt-10 -136.55 157.31 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.93 110.43 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.693 ' C ' HG13 ' A' ' 64' ' ' VAL . 20.7 m-80 -139.16 150.55 45.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.1 pt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.584 HD12 ' CG2' ' A' ' 78' ' ' THR . 2.2 mm . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.693 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.8 t -137.43 137.49 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.47 ' HG2' ' CD2' ' A' ' 76' ' ' LEU . 37.7 mt-10 -89.67 130.92 35.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.2 m -127.73 146.02 50.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.545 HD21 ' SG ' ' A' ' 74' ' ' CYS . 2.1 tt -90.69 116.5 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.857 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -133.53 154.17 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.501 ' CA ' HG21 ' A' ' 19' ' ' VAL . . . 169.98 -157.13 28.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -134.43 -179.25 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.245 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 15.8 pt-20 -50.74 -21.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.455 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 5.6 p -72.44 -77.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 131' ' ' ASN . . . -146.21 -172.46 16.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.545 ' SG ' HD21 ' A' ' 67' ' ' LEU . 28.0 p -135.72 169.67 17.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.925 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -155.89 163.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -87.3 119.25 27.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' A' ' 95' ' ' LEU . 7.2 t80 -126.12 121.81 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.584 ' CG2' HD12 ' A' ' 63' ' ' ILE . 75.6 m -77.01 133.79 39.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -119.7 131.07 55.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.452 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -71.97 163.65 27.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.538 ' O ' HG12 ' A' ' 84' ' ' VAL . 9.2 p-10 -44.87 -24.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -87.19 -62.6 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' MET . 26.9 mt-30 -53.45 -38.73 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.8 p -37.55 -42.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -55.22 29.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.042 HD22 ' HB2' ' A' ' 119' ' ' ALA . 6.5 mt -63.68 -22.27 66.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.857 ' CE ' HG21 ' A' ' 68' ' ' ILE . 53.7 mmm -100.04 33.57 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -71.15 158.03 88.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.68 15.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.549 1.815 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.52 21.56 61.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -122.99 143.29 50.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 0.72 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.617 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 36.0 m -104.33 129.58 52.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.663 HG11 ' O ' ' A' ' 86' ' ' LEU . 23.2 m -143.91 149.22 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.801 HG13 HG23 ' A' ' 32' ' ' THR . 40.2 mt -99.42 153.23 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.584 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 2.4 mp -116.24 117.32 29.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.448 ' NH1' ' OE2' ' A' ' 118' ' ' GLU . 16.3 mtp180 -108.54 139.48 43.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 55.97 23.91 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.0 p -68.42 122.22 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -103.54 142.36 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.8 mm -87.64 128.65 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.82 125.97 39.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.2 tpt -78.92 107.79 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 11.1 t80 -98.58 159.08 15.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.556 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -40.28 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.857 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.71 39.07 65.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.7 OUTLIER -165.91 178.21 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.753 . . . . 0.0 110.432 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.43 158.09 43.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -146.38 162.83 37.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.925 ' HB3' HD11 ' A' ' 75' ' ' ILE . 31.4 tp -96.5 137.64 35.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -155.79 170.86 33.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 t -130.94 118.53 42.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.66 175.26 8.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.587 ' HE3' ' CZ2' ' A' ' 114' ' ' TRP . 4.9 pttt -62.51 -15.92 52.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.587 ' CZ2' ' HE3' ' A' ' 113' ' ' LYS . 1.5 m95 -93.34 17.76 10.76 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.3 153.49 25.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 156.5 44.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.4 mt -77.39 156.39 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.725 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.3 tp10 -96.21 -63.64 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.042 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 88.27 42.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.639 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.6 OUTLIER -37.59 -61.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.639 ' H ' HG23 ' A' ' 120' ' ' THR . . . 111.71 108.21 2.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.43 ' N ' ' HB ' ' A' ' 92' ' ' THR . . . 61.52 143.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.617 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -109.42 156.66 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -106.79 18.87 21.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -142.12 166.46 24.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.5 m -109.86 115.33 29.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.807 HG21 HD11 ' A' ' 36' ' ' ILE . 48.9 t -54.54 131.02 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 8.0 ttpt -79.94 86.12 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 63.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -160.15 -44.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.467 ' O ' ' CA ' ' A' ' 73' ' ' GLY . 42.3 t30 -91.21 70.21 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.677 ' C ' HD23 ' A' ' 133' ' ' LEU . 40.5 t-20 -87.45 149.17 24.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.733 HD11 HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -116.92 6.91 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 96.4 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.19 158.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -140.19 -58.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.95 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.48 121.22 1.29 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 p -155.07 135.18 13.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.61 164.15 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.94 133.2 2.83 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 p -134.7 -56.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.685 HG23 ' HE3' ' A' ' 11' ' ' LYS . 24.6 m 59.33 105.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 10' ' ' VAL . 33.7 m -134.5 76.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.685 ' HE3' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -45.43 -62.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.64 86.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -171.1 155.72 4.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.6 t -70.91 -30.05 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -113.74 159.94 19.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.83 HG13 HD13 ' A' ' 31' ' ' LEU . 11.5 p -93.98 173.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.622 ' H ' HG22 ' A' ' 17' ' ' VAL . 7.3 mmtm -120.23 167.06 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.722 HG12 HD11 ' A' ' 133' ' ' LEU . 96.2 t -67.09 -49.06 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -8.8 35.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.98 -2.33 55.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 71.8 mt -74.84 161.59 29.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 9.0 mtmt -166.59 159.16 11.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.79 25.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.37 66.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -101.36 158.71 15.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.377 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' GLY . 4.9 p -149.13 178.93 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.64 90.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -120.89 158.01 28.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.6 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.575 HG23 ' HD3' ' A' ' 96' ' ' ARG . 4.0 m -138.29 108.57 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.83 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -154.69 172.04 18.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.714 HG23 HG13 ' A' ' 94' ' ' ILE . 7.3 m -107.75 108.63 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.82 134.45 42.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -107.71 121.88 45.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.555 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -69.97 144.11 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -120.1 -51.73 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 5.6 mt-10 -136.17 155.98 49.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.92 106.38 4.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.679 ' C ' HG13 ' A' ' 64' ' ' VAL . 6.4 m-80 -136.98 150.33 48.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.455 HG22 HG22 ' A' ' 64' ' ' VAL . 50.2 pt -53.49 155.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.421 HG22 ' CG ' ' A' ' 65' ' ' GLU . 99.6 t -79.09 101.09 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 m -72.89 157.26 88.96 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.8 t 64.64 -84.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.424 ' O ' ' CG2' ' A' ' 45' ' ' THR . 4.6 t -84.87 116.4 23.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.04 115.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.18 104.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 49' ' ' ARG . 12.1 t -160.05 137.76 9.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER 163.51 -53.3 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -75.01 -56.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 50.74 69.04 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m 57.34 90.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.959 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.79 90.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.52 112.7 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.31 -62.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.18 139.9 79.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 109.94 3.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.9 p -100.51 -178.44 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.953 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.498 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 1.1 pm0 -83.52 151.02 61.28 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 90.38 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 p -92.73 69.9 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.65 103.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.577 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.9 mm -108.77 132.28 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.679 HG13 ' C ' ' A' ' 39' ' ' ASN . 72.7 t -142.28 137.33 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' CG ' HG22 ' A' ' 41' ' ' VAL . 13.3 mt-10 -85.16 129.57 34.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 4.5 m -125.56 143.6 50.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 20.2 tp -88.38 116.4 26.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.91 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -134.15 153.36 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 168.93 -162.63 36.41 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' OD1' ' CD1' ' A' ' 125' ' ' PHE . 11.5 t0 -133.85 -179.01 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 8.1 pt-20 -45.11 -40.71 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 13.7 p -54.25 -80.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.445 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -145.91 -173.44 17.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.9 p -135.14 165.06 26.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.906 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -150.62 164.12 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 134' ' ' SER . 3.6 mt -89.04 123.35 33.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.905 ' CE2' HD21 ' A' ' 95' ' ' LEU . 2.4 t80 -127.25 134.92 50.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.577 ' CG2' HD12 ' A' ' 63' ' ' ILE . 64.0 m -90.27 134.86 34.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.75 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -124.96 132.14 53.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.408 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.2 mmm180 -72.79 171.33 12.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -49.86 -22.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 80' ' ' ARG . 22.5 m-20 -90.9 -56.95 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -56.53 -42.37 78.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.5 p -38.7 -47.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -55.61 -51.7 66.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.94 HD22 ' HB2' ' A' ' 119' ' ' ALA . 18.4 mt -66.67 -31.4 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.91 ' CE ' HG21 ' A' ' 68' ' ' ILE . 55.1 mmm -92.48 38.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -74.06 156.41 87.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.63 13.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.15 24.67 51.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -125.85 149.53 48.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.737 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.75 HG21 ' CA ' ' A' ' 123' ' ' ALA . 96.4 m -107.74 125.3 51.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 119' ' ' ALA . 20.0 m -140.22 159.28 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.714 HG13 HG23 ' A' ' 32' ' ' THR . 21.2 mt -114.56 160.42 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.905 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.1 mp -121.91 115.46 22.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.575 ' HD3' HG23 ' A' ' 30' ' ' THR . 0.1 OUTLIER -106.05 128.14 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 65.63 26.68 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 p -69.36 141.4 54.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -114.12 156.66 23.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 mm -109.38 126.31 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 107' ' ' MET . 4.5 m-20 -95.01 125.77 39.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.72 95.99 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.504 ' HD2' ' HG1' ' A' ' 106' ' ' THR . 9.9 t80 -83.05 158.57 22.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.491 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -41.99 97.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.806 ' O ' HG23 ' A' ' 106' ' ' THR . . . 57.58 33.43 66.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.3 p -162.85 -174.75 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 1.3 ptt? -153.37 169.08 23.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.36 164.38 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.906 ' HB3' HD11 ' A' ' 75' ' ' ILE . 43.7 tp -96.41 135.98 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.14 171.61 32.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 18.6 t -126.22 129.9 72.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.96 176.09 10.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.444 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -65.22 -23.07 66.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.444 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 42.4 m95 -94.88 26.97 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.44 143.81 12.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.74 156.4 48.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.2 mt -77.63 156.69 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.241 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.724 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 4.6 tp10 -100.32 -57.81 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.94 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 87.2 44.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.623 ' CG2' HG22 ' A' ' 92' ' ' THR . 1.6 t -43.37 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.29 -84.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.473 ' C ' HG21 ' A' ' 92' ' ' THR . . . -131.07 155.26 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.797 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.75 ' CA ' HG21 ' A' ' 92' ' ' THR . . . -67.98 -65.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 2.9 t 87.11 3.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.509 ' CZ ' ' HB1' ' A' ' 123' ' ' ALA . 7.2 p90 -131.2 148.98 52.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 90.1 m -87.46 115.86 25.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.463 HG21 HD11 ' A' ' 36' ' ' ILE . 20.1 t -67.09 146.14 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.2 ttpt -97.01 79.43 2.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -69.34 59.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' LYS . 13.7 m-20 -153.95 -45.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -82.55 51.99 1.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.595 ' HB3' HD12 ' A' ' 135' ' ' LEU . 5.0 t-20 -62.41 142.38 57.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.722 HD11 HG12 ' A' ' 19' ' ' VAL . 8.4 mt -103.27 -19.28 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.479 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -81.49 1.13 34.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.595 HD12 ' HB3' ' A' ' 132' ' ' ASN . 20.3 mt -108.04 -58.96 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 106' ' ' THR . 9.4 p -48.46 149.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.453 ' HG2' HG23 ' A' ' 106' ' ' THR . 68.4 mt-10 -116.38 134.26 55.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -97.84 137.42 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 59.41 115.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 57.8 m -56.7 114.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -147.71 -163.6 10.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 11.1 t -136.25 -54.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 7.9 t -159.17 83.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.84 168.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.98 163.91 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.31 166.98 39.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -164.41 169.96 16.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.03 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.97 145.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.89 -131.94 6.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.4 t -171.08 87.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.54 ' C ' HG12 ' A' ' 10' ' ' VAL . 1.8 m -151.02 117.95 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.54 HG12 ' C ' ' A' ' 9' ' ' THR . 0.3 OUTLIER 177.41 127.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 134.03 51.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.5 mmt-85 -92.17 160.01 15.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.57 155.84 49.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -172.21 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.431 1.753 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.26 -33.05 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -112.93 157.97 20.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.833 HG13 HD13 ' A' ' 31' ' ' LEU . 8.0 p -93.19 177.71 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.729 ' H ' HG22 ' A' ' 17' ' ' VAL . 7.4 mmtt -123.85 172.54 8.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 133' ' ' LEU . 86.2 t -73.49 -43.68 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -6.18 29.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -94.86 -9.26 34.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.7 mt -68.89 158.58 34.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -166.5 163.09 11.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.1 13.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.18 -1.61 47.25 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.566 1.166 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.9 p -94.79 158.26 15.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 28' ' ' GLY . 5.3 p -150.75 172.62 15.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 37.48 93.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -121.24 159.26 26.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.7 m -140.37 111.57 7.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.426 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.833 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -156.54 169.79 23.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.675 HG23 HG21 ' A' ' 120' ' ' THR . 27.1 m -101.87 106.86 17.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -101.54 134.09 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -107.48 122.52 46.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.519 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.3 t -70.15 146.26 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.894 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.92 -51.36 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.5 mt-10 -134.83 160.53 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.01 113.38 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.675 ' C ' HG13 ' A' ' 64' ' ' VAL . 3.3 m-80 -138.06 145.8 42.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.0 pt -51.72 157.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG12 ' CD ' ' A' ' 65' ' ' GLU . 11.3 m -78.36 87.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.512 HG23 HG21 ' A' ' 45' ' ' THR . 31.0 m -61.97 157.38 51.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.84 42.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 t 69.58 48.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.512 HG21 HG23 ' A' ' 42' ' ' VAL . 9.2 p -134.62 -171.23 2.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.66 102.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.14 142.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -108.46 -66.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.3 mtt-85 -104.63 135.63 19.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.49 173.66 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.09 80.02 6.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.28 81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -174.73 105.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.34 -63.32 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.4 68.56 1.75 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.61 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -173.06 -55.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.36 153.37 34.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.48 8.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.46 76.66 9.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.68 104.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.531 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.8 mm -101.25 130.93 49.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.675 HG13 ' C ' ' A' ' 39' ' ' ASN . 92.1 t -131.61 140.47 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.649 ' HB3' HD11 ' A' ' 76' ' ' LEU . 37.2 mt-10 -92.26 123.6 35.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.2 m -122.31 149.85 43.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.262 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 tt -96.9 117.44 31.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.953 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.14 153.39 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.447 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 170.77 -160.92 33.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.543 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 2.2 t70 -135.87 -179.88 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 72' ' ' THR . 2.9 pt-20 -47.5 -27.11 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.51 ' O ' ' CE ' ' A' ' 128' ' ' LYS . 38.9 p -67.37 -75.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.04 -172.74 21.0 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.424 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 2.7 p -137.32 168.12 20.25 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.547 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.3 162.75 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.649 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -89.93 100.98 13.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CE2' HD21 ' A' ' 95' ' ' LEU . 14.2 t80 -106.12 139.22 40.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.531 ' CG2' HD12 ' A' ' 63' ' ' ILE . 21.1 m -95.73 131.25 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.678 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -117.84 135.03 54.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -72.75 170.56 14.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -51.33 -21.45 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.51 -55.41 3.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' VAL . 1.3 mt-30 -57.39 -41.75 80.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.3 p -38.44 -46.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.436 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 1.5 m-20 -55.74 -54.9 38.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.84 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.6 mt -63.84 -34.36 77.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.953 ' CE ' HG21 ' A' ' 68' ' ' ILE . 56.3 mmm -88.58 41.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.64 154.62 85.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.3 15.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.91 23.54 57.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.74 156.68 39.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.84 HG23 ' HB2' ' A' ' 123' ' ' ALA . 14.8 m -112.41 129.0 56.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 119' ' ' ALA . 26.8 m -144.88 159.81 14.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.553 HD12 ' HB ' ' A' ' 120' ' ' THR . 20.5 mt -111.9 157.6 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 109' ' ' LEU . 2.3 mp -118.15 114.84 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -105.65 135.12 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 t30 57.9 37.82 26.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.499 ' HB2' HD11 ' A' ' 109' ' ' LEU . 97.5 p -82.63 130.29 35.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -104.34 160.43 14.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.4 mm -111.92 125.68 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 107' ' ' MET . 1.6 p30 -95.58 130.15 42.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.49 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -80.23 100.96 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.522 ' HD2' ' HG1' ' A' ' 106' ' ' THR . 9.3 t80 -89.85 158.59 17.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -42.39 96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.803 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.19 33.2 69.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.803 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.3 p -162.88 -174.51 3.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.525 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.2 ptt? -155.76 164.2 38.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -146.87 161.59 40.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 95' ' ' LEU . 56.7 tp -97.39 142.84 28.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -157.94 177.78 34.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.87 134.44 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.09 176.49 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.6 ' HE3' ' CZ2' ' A' ' 114' ' ' TRP . 3.2 pttt -61.76 -24.46 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.6 ' CZ2' ' HE3' ' A' ' 113' ' ' LYS . 1.2 m95 -86.67 7.71 25.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.87 152.58 20.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -148.64 159.47 44.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.98 156.48 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.6 OUTLIER -101.69 -53.04 3.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.84 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 81.18 56.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.675 HG21 HG23 ' A' ' 32' ' ' THR . 1.7 t -61.06 171.23 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -57.3 -113.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.79 160.48 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.84 ' HB2' HG23 ' A' ' 92' ' ' THR . . . -90.78 138.94 31.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.85 16.45 25.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.543 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 6.4 p90 -132.26 161.31 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.5 m -106.56 117.9 35.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.894 HG21 HD11 ' A' ' 36' ' ' ILE . 54.4 t -55.04 141.5 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 72' ' ' THR . 2.5 tmmm? -109.85 94.04 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.6 -7.99 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -18.21 63.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.486 ' HB2' ' CD ' ' A' ' 128' ' ' LYS . 32.9 t30 -124.66 72.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.6 ' C ' HD23 ' A' ' 133' ' ' LEU . 4.7 t-20 -85.36 135.23 33.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.724 HD23 ' N ' ' A' ' 133' ' ' LEU . 1.7 mt -94.58 -21.68 18.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -3.11 39.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 132' ' ' ASN . 18.8 mt -109.38 -51.62 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.664 HG12 ' HA ' ' A' ' 133' ' ' LEU . 13.7 p -50.69 152.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.464 ' HG2' HG23 ' A' ' 106' ' ' THR . 37.0 mt-10 -121.81 132.12 54.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.525 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 21.4 m-30 -97.48 130.32 44.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.54 84.74 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.4 t -82.79 165.59 19.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -157.28 167.18 33.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.4 12.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.67 98.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.1 t -72.26 156.21 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t 179.1 -58.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -75.68 164.21 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.84 71.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.4 140.45 49.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.36 168.69 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.79 93.81 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.93 109.21 5.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 m -153.01 125.76 8.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 p -177.73 120.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.18 151.03 23.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.34 -23.28 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -150.77 149.94 26.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -165.02 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t -76.49 -31.72 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -113.77 155.02 26.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.869 HG13 HD13 ' A' ' 31' ' ' LEU . 10.8 p -91.12 175.16 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.653 ' H ' HG22 ' A' ' 17' ' ' VAL . 14.2 mmtt -121.4 169.57 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.652 HG12 ' CD1' ' A' ' 133' ' ' LEU . 95.0 t -71.54 -41.91 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.42 -4.76 28.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.78 3.27 47.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.548 HD13 HD11 ' A' ' 100' ' ' ILE . 83.5 mt -77.02 151.57 35.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 10.7 mttp -162.85 161.6 18.98 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.68 25.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.91 14.31 55.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -114.19 158.37 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' GLY . 3.0 p -151.08 175.97 11.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.09 91.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -117.96 158.54 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m -137.25 109.72 7.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.869 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -157.22 168.6 26.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.84 HG23 HG13 ' A' ' 94' ' ' ILE . 5.0 m -105.22 109.76 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.373 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -101.32 134.22 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -107.1 118.96 38.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.6 t -65.32 144.16 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 127' ' ' VAL . 2.1 mm -118.51 -49.93 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 4.5 mt-10 -140.95 156.32 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.26 112.65 6.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.664 ' C ' HG13 ' A' ' 64' ' ' VAL . 10.0 m-80 -138.08 147.97 44.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.7 pt -52.62 157.83 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.666 HG22 ' CD ' ' A' ' 65' ' ' GLU . 5.3 t -78.92 89.27 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -64.24 157.6 69.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.76 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t 69.47 -62.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 46.8 p -79.91 -159.76 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -47.29 137.85 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.25 145.76 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 t -47.16 132.02 12.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.508 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -53.2 -50.88 79.96 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.4 Cg_endo -74.98 86.6 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.91 106.3 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.8 t -176.16 77.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.8 101.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.32 167.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.64 -67.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.86 147.64 41.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 70.02 5.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -176.96 -69.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -141.58 152.9 64.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.84 37.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.09 86.75 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -45.92 108.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm -106.82 129.19 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.664 HG13 ' C ' ' A' ' 39' ' ' ASN . 77.7 t -136.91 138.49 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.666 ' CD ' HG22 ' A' ' 41' ' ' VAL . 58.7 mt-10 -94.45 113.27 25.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 8.8 m -108.67 149.8 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 108.315 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 25.2 tp -94.72 119.41 33.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.903 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.72 153.53 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.566 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 175.09 -169.68 42.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 12.8 t0 -132.26 -179.27 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 0.718 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -44.8 -26.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.421 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 9.0 p -73.09 -78.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.413 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.55 -172.5 19.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.15 . . . . 0.0 111.047 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 4.7 p -136.06 168.12 19.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.574 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -148.6 163.67 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.31 110.7 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.756 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.3 t80 -114.12 142.58 46.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 82.8 m -99.32 124.61 44.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -111.68 131.8 55.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.9 mmm180 -72.11 165.55 24.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 84' ' ' VAL . 28.3 p-10 -47.17 -22.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -89.62 -61.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' LEU . 18.2 mt-30 -54.38 -37.81 65.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 81' ' ' ASN . 4.0 p -38.19 -45.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.21 -52.04 66.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.92 HD22 ' HB2' ' A' ' 119' ' ' ALA . 12.7 mt -63.72 -28.56 69.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.903 ' CE ' HG21 ' A' ' 68' ' ' ILE . 59.4 mmm -95.88 39.92 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.425 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -73.05 156.98 89.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.28 15.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.33 20.45 60.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -124.26 153.77 41.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.584 ' OG1' ' HB2' ' A' ' 123' ' ' ALA . 42.9 m -114.39 131.03 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.411 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 119' ' ' ALA . 17.9 m -141.87 161.85 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.84 HG13 HG23 ' A' ' 32' ' ' THR . 39.4 mt -111.65 160.05 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.756 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.3 mp -124.56 119.1 28.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.45 ' NH1' ' OE1' ' A' ' 118' ' ' GLU . 18.1 mtp180 -112.4 122.97 49.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.5 t30 76.31 19.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.429 ' CB ' HD23 ' A' ' 95' ' ' LEU . 24.8 p -67.13 130.74 44.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 110' ' ' GLY . 10.0 ptm180 -104.28 155.55 18.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.548 HD11 HD13 ' A' ' 22' ' ' LEU . 13.9 mm -105.21 126.38 60.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 107' ' ' MET . 0.9 OUTLIER -95.11 125.56 39.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.403 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.68 101.96 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' THR . 8.0 t80 -91.98 157.41 16.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -41.35 97.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.885 ' O ' HG23 ' A' ' 106' ' ' THR . . . 57.61 42.9 94.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -175.47 -177.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 110.387 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -146.92 174.61 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.489 ' O ' HD13 ' A' ' 100' ' ' ILE . 32.2 mtm180 -155.89 166.35 33.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.675 ' CD2' HD22 ' A' ' 95' ' ' LEU . 16.4 tp -96.1 136.62 36.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' ARG . . . -152.43 157.51 27.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.5 130.03 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.08 175.87 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -20.31 66.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -95.97 21.84 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -135.4 149.6 20.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -147.19 155.35 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.434 ' HB ' HD13 ' A' ' 86' ' ' LEU . 14.1 mt -77.21 156.02 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.687 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 6.5 tp10 -101.69 -53.55 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.92 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 83.45 51.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.506 ' CG2' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -37.63 -51.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 137.8 -74.01 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.421 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.94 163.73 29.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.584 ' HB2' ' OG1' ' A' ' 92' ' ' THR . . . -105.42 154.45 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.4 p -116.7 3.27 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.551 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 8.6 p90 -118.8 159.34 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.2 m -102.82 110.14 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 36' ' ' ILE . 53.5 t -55.07 143.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.477 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 1.2 ttmm -106.14 88.55 2.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -16.14 11.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -26.36 61.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.477 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 37.5 t30 -105.24 60.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.476 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 12.7 t-20 -85.77 124.83 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.652 ' CD1' HG12 ' A' ' 19' ' ' VAL . 1.9 mt -86.6 -12.65 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 p -78.0 1.63 20.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 132' ' ' ASN . 6.6 mt -117.56 -52.14 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.535 ' O ' ' CG2' ' A' ' 106' ' ' THR . 9.8 p -44.73 167.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.405 ' H ' HG22 ' A' ' 136' ' ' VAL . 57.2 mt-10 -136.11 128.88 30.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.375 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.419 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 10.1 m-30 -89.93 134.21 34.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 63.41 66.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 87.2 p -104.87 143.67 32.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -168.52 -150.2 6.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.61 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.52 1.8 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.7 t 58.27 87.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.5 p -93.02 95.85 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -153.66 123.48 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -175.69 153.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.68 -176.58 29.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.2 120.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -165.39 136.14 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.956 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.82 171.51 23.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.442 1.088 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.57 174.54 7.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 t -133.36 126.83 32.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 10' ' ' VAL . 14.9 p -153.65 59.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.17 -47.35 5.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.08 122.2 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.84 162.01 0.14 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -175.36 2.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.67 -30.61 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -109.46 162.98 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.813 HG13 HD13 ' A' ' 31' ' ' LEU . 12.0 p -94.93 173.97 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.619 ' H ' HG22 ' A' ' 17' ' ' VAL . 13.2 mmtt -120.23 171.25 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 133' ' ' LEU . 82.1 t -71.97 -45.04 65.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -8.08 29.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -93.66 -9.21 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 77.9 mt -68.16 153.42 43.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 4.7 mtpt -160.06 160.09 26.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.72 11.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.79 -2.86 38.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.8 p -95.72 152.17 18.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -143.98 174.75 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.3 91.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -119.48 162.2 19.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m -140.9 106.43 5.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.813 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -153.57 169.52 23.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.56 HG23 HG21 ' A' ' 120' ' ' THR . 90.3 m -105.32 109.16 21.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -101.76 136.81 32.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.1 tttm -109.58 122.49 47.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.52 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -69.94 144.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.895 HD11 HG21 ' A' ' 127' ' ' VAL . 2.4 mm -121.0 -50.12 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.3 mt-10 -134.29 158.49 43.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -152.7 107.94 3.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.721 ' C ' HG13 ' A' ' 64' ' ' VAL . 5.0 m-80 -138.53 152.66 48.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 pt -53.28 156.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.664 HG22 ' CD ' ' A' ' 65' ' ' GLU . 20.3 t -78.67 111.86 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 m -69.88 156.73 91.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 135.78 19.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.8 t 55.77 98.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 46' ' ' ARG . 3.8 t -170.63 -48.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.432 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.451 ' N ' ' CG2' ' A' ' 45' ' ' THR . 42.8 mtt85 -148.15 -66.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -57.31 105.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 p -129.71 121.43 26.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.446 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.72 136.93 14.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.349 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.23 3.33 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.462 1.769 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 53.84 174.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.69 163.77 13.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.0 m -118.8 -56.3 2.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.47 151.92 27.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -172.56 -58.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -58.65 164.76 3.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.11 164.46 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -39.88 154.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 58.13 4.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 m 47.97 94.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -47.14 115.36 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 mm -123.7 128.86 74.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.721 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.7 t -128.18 138.36 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.664 ' CD ' HG22 ' A' ' 41' ' ' VAL . 28.7 mt-10 -89.67 128.09 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.3 m -126.19 152.15 46.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.3 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.423 HD22 HG13 ' A' ' 36' ' ' ILE . 6.7 tt -100.9 116.52 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.965 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.14 153.57 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.2 -163.42 36.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 15.3 t0 -132.5 -179.38 5.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -45.51 -35.36 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.423 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 16.0 p -60.2 -79.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.365 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 131' ' ' ASN . . . -147.53 -172.54 17.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.1 p -136.71 168.94 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.821 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -148.17 163.28 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.434 ' CD1' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -90.27 102.07 14.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.705 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.9 t80 -105.1 141.35 36.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 77.2 m -97.33 129.66 44.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.702 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -119.5 132.32 55.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -72.66 170.1 15.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.433 ' O ' HG12 ' A' ' 84' ' ' VAL . 19.6 t-20 -49.47 -22.75 1.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -89.59 -58.21 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -55.63 -43.05 75.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.6 p -37.91 -44.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.408 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 17.2 t0 -55.74 -55.67 29.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.827 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 1.8 mt -63.84 -32.54 74.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.965 ' CE ' HG21 ' A' ' 68' ' ' ILE . 60.0 mmm -89.42 41.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -77.09 156.13 82.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.78 15.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.7 24.45 55.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.12 153.84 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.666 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 38.0 m -111.31 127.74 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.831 HG12 ' HA ' ' A' ' 119' ' ' ALA . 34.3 m -139.94 152.54 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.508 HD12 ' HB ' ' A' ' 120' ' ' THR . 12.8 mt -110.34 151.38 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.853 HD22 HD21 ' A' ' 109' ' ' LEU . 2.0 mp -114.44 116.1 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 13.9 mtp180 -108.63 117.63 34.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.8 t30 78.31 25.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.591 ' CB ' HD23 ' A' ' 95' ' ' LEU . 7.8 p -71.73 131.89 43.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.88 165.04 11.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 109' ' ' LEU . 14.6 mm -118.44 124.87 73.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.32 126.63 40.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -75.87 98.74 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 106' ' ' THR . 7.7 t80 -85.98 158.26 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -42.28 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.766 ' O ' HG23 ' A' ' 106' ' ' THR . . . 57.98 31.9 65.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.4 p -161.87 -174.1 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.433 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.566 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.3 ptt? -156.3 164.09 38.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -146.37 164.56 32.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.853 HD21 HD22 ' A' ' 95' ' ' LEU . 48.9 tp -97.14 135.27 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -147.93 174.24 27.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.3 t -131.13 132.51 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.57 174.47 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -25.5 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -91.44 15.65 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -132.41 139.57 11.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -134.46 156.71 48.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.72 156.05 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.666 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -97.41 -54.99 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.831 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 83.71 36.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.56 HG21 HG23 ' A' ' 32' ' ' THR . 6.1 t -40.18 160.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -50.66 -101.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.44 165.63 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.666 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -93.26 147.74 22.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.32 20.71 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.554 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.5 p90 -139.07 162.45 34.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 52.8 m -108.22 117.48 34.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.895 HG21 HD11 ' A' ' 36' ' ' ILE . 78.6 t -55.66 141.98 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 131' ' ' ASN . 10.1 ttpp -107.61 85.51 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.58 -17.9 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.01 -37.83 88.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.454 ' O ' ' CA ' ' A' ' 73' ' ' GLY . 49.5 t30 -102.74 83.37 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.603 ' C ' HD23 ' A' ' 133' ' ' LEU . 8.5 t-20 -101.33 132.93 46.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.756 HD11 HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -96.35 -6.29 38.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.4 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.86 -6.64 53.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.6 mt -104.33 -53.97 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 133' ' ' LEU . 4.8 p -52.8 146.44 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 24.1 mt-10 -110.81 132.44 54.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 17.6 m-30 -94.9 121.2 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.46 120.03 5.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.5 t -126.57 157.27 39.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 177.31 -171.14 43.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.15 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.4 m -128.05 -73.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.5 t -164.69 154.22 13.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 111.041 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -176.52 169.58 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.981 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -152.27 168.41 25.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.08 135.93 1.91 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.71 133.01 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.61 165.36 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.82 -173.92 43.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.5 p -140.14 169.3 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.3 t -152.42 144.72 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.7 p 177.81 115.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -98.57 166.1 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -135.49 133.74 38.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -95.41 153.9 39.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.0 40.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 16' ' ' PHE . 71.7 t -114.01 -84.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 15' ' ' VAL . 15.5 m-85 56.29 157.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.835 HG13 HD13 ' A' ' 31' ' ' LEU . 7.8 p -96.6 176.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.71 ' H ' HG22 ' A' ' 17' ' ' VAL . 2.2 mmtp -123.41 166.31 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.636 HG12 ' CD1' ' A' ' 133' ' ' LEU . 88.0 t -67.88 -50.22 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.555 ' OE2' HG22 ' A' ' 72' ' ' THR . 11.7 pt-20 -64.94 -11.8 42.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.36 -1.87 57.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.7 mt -73.81 161.18 30.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -167.96 162.42 9.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 139.6 24.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.81 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.95 25.7 26.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.6 p -122.37 153.17 39.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.431 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -145.45 166.88 24.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 45.12 95.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -122.15 158.24 29.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.616 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 m -138.25 107.41 6.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.835 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -155.22 165.92 35.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.652 HG23 HG13 ' A' ' 94' ' ' ILE . 3.9 m -98.93 107.8 20.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.419 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 m -101.81 131.79 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.2 tttt -107.21 121.95 45.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.5 t -68.01 143.94 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.656 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -118.88 -50.03 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 5.7 mt-10 -139.67 158.95 43.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.09 113.72 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.684 ' C ' HG13 ' A' ' 64' ' ' VAL . 3.6 m-80 -137.75 148.76 45.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.491 ' HA ' HG22 ' A' ' 64' ' ' VAL . 45.8 pt -53.8 157.52 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.527 HG22 ' CD ' ' A' ' 65' ' ' GLU . 40.6 t -79.31 114.03 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.6 m -72.02 155.47 91.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.8 11.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t 66.15 93.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.16 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.82 -70.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 114.66 22.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 p -134.97 74.31 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.79 154.71 49.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 112.15 3.49 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.34 54.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.1 t -161.84 94.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.98 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.81 83.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -155.6 44.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.91 135.81 0.47 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -56.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.564 1.823 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.9 p -144.2 136.55 26.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 61.08 150.52 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.56 32.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.48 81.67 5.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.43 95.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.447 HD12 ' CG2' ' A' ' 78' ' ' THR . 3.2 mm -89.0 133.77 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.684 HG13 ' C ' ' A' ' 39' ' ' ASN . 88.6 t -139.63 138.74 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.527 ' CD ' HG22 ' A' ' 41' ' ' VAL . 55.5 mt-10 -95.28 123.08 38.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.3 m -116.63 143.65 45.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 108.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.6 tp -88.05 117.88 27.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.894 HG21 ' HE1' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.38 153.25 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.471 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 172.28 -165.07 37.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -131.72 -179.53 5.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 0.794 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -49.53 -22.95 1.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.555 HG22 ' OE2' ' A' ' 20' ' ' GLU . 17.6 p -73.43 -78.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.45 -172.53 15.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.405 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 19.4 p -139.95 165.53 27.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.893 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -151.54 163.81 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -86.61 117.25 25.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CE2' HD21 ' A' ' 95' ' ' LEU . 4.4 t80 -122.95 127.73 49.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.571 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 98.3 m -79.17 143.33 35.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.591 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -131.28 130.23 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -72.55 165.79 23.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 84' ' ' VAL . 40.8 p-10 -46.75 -23.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -88.31 -62.02 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 24.2 mt-30 -54.03 -39.53 66.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 81' ' ' ASN . 3.3 p -38.54 -42.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.46 -53.41 56.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.033 HD22 ' HB2' ' A' ' 119' ' ' ALA . 15.8 mt -64.14 -24.36 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.894 ' HE1' HG21 ' A' ' 68' ' ' ILE . 53.8 mmm -98.48 40.45 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.438 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -75.23 154.98 86.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.07 12.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.23 23.9 46.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -126.75 156.36 41.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.724 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 88.4 m -113.52 131.71 55.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 86' ' ' LEU . 32.7 m -146.15 152.38 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.652 HG13 HG23 ' A' ' 32' ' ' THR . 34.1 mt -104.52 155.24 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.59 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 1.7 mp -115.63 118.88 34.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -109.19 129.6 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 t30 63.72 29.08 14.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.8 p -74.86 127.47 33.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -102.4 157.87 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.7 mm -107.3 125.69 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 107' ' ' MET . 2.0 m-20 -95.14 124.76 39.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.447 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.16 106.07 10.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 9.5 t80 -95.44 157.53 15.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.487 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -41.34 97.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.886 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.23 42.66 95.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -175.02 -176.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 110.413 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.591 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.1 ptt? -154.74 163.97 39.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -146.06 163.35 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.893 ' HB3' HD11 ' A' ' 75' ' ' ILE . 28.0 tp -97.56 136.1 38.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -154.35 155.89 26.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.46 127.6 70.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.85 176.26 9.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -20.26 66.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -94.77 24.85 4.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 107.976 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.66 146.2 16.38 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.07 158.84 43.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 0.788 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.468 ' HB ' HD13 ' A' ' 86' ' ' LEU . 4.9 mt -77.49 156.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.716 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 3.8 tp10 -97.53 -60.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.033 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 86.73 45.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.2 OUTLIER -35.83 -56.48 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.509 ' H ' HG23 ' A' ' 120' ' ' THR . . . 144.42 -80.53 0.23 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.411 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -133.16 155.31 49.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.724 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -100.17 149.41 23.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 10.11 23.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -123.59 155.65 37.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.4 m -98.47 110.77 23.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.656 HG21 HD11 ' A' ' 36' ' ' ILE . 48.0 t -54.7 140.16 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -90.44 88.13 7.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.33 63.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.12 -44.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -83.81 52.98 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.538 ' HB3' HD12 ' A' ' 135' ' ' LEU . 11.7 t-20 -69.68 134.94 49.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.636 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.9 mt -96.4 -17.14 20.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.457 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -79.3 -1.88 38.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 132' ' ' ASN . 10.3 mt -111.08 -61.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 133' ' ' LEU . 8.5 p -47.24 148.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -113.94 141.19 47.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.591 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 18.1 m-30 -100.16 135.89 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.37 164.49 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 58.5 m 61.94 121.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 171.81 -123.73 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 151.21 39.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.7 p -108.33 121.2 44.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.0 p -161.81 152.18 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.82 148.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.99 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.49 160.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.5 149.89 6.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.99 162.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 t -173.12 172.23 3.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.48 133.72 5.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.2 142.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 0.802 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -146.76 84.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 10' ' ' VAL . 93.7 t -134.28 25.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm 66.95 -172.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.29 21.41 10.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.17 156.94 78.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -165.61 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.34 -28.69 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -104.29 164.74 11.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.809 HG13 HD13 ' A' ' 31' ' ' LEU . 7.4 p -97.75 178.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.743 ' H ' HG22 ' A' ' 17' ' ' VAL . 14.3 mmtt -128.39 164.9 21.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.771 ' O ' HD11 ' A' ' 133' ' ' LEU . 94.0 t -64.84 -41.5 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 9.8 pt-20 -69.38 -4.3 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.472 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.67 -2.48 35.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.67 146.09 40.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -158.43 168.54 12.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.78 14.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.67 51.72 2.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.1 p -149.72 153.3 36.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' GLY . 12.5 p -146.38 174.33 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 38.84 94.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -121.39 159.42 26.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -138.36 109.28 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.809 HD13 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -155.99 169.64 23.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.707 HG23 ' CG1' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -104.31 111.17 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.416 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.1 m -104.16 134.25 45.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -110.99 121.43 45.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.522 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.3 t -70.58 147.41 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.827 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.12 -50.21 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -137.63 168.36 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -148.0 109.37 4.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.616 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -121.61 137.31 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 64' ' ' VAL . 51.2 pt -60.11 155.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.426 HG11 HG22 ' A' ' 63' ' ' ILE . 3.2 m -94.08 146.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.56 158.91 30.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.14 17.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -78.0 -84.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.05 158.27 21.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.426 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.2 ttp85 -53.71 111.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.78 116.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -125.77 119.03 26.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' CB ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -51.05 -53.54 47.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 49' ' ' ARG . 18.4 Cg_endo -75.0 -164.23 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -148.42 123.25 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 m -156.66 101.85 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.64 89.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mp -111.91 169.36 8.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.51 158.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.77 90.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 101.83 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.63 -56.29 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.938 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -41.53 148.94 0.41 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 172.64 15.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.21 99.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.32 121.91 9.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 80' ' ' ARG . 2.4 mm -129.63 125.46 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.616 HG13 ' C ' ' A' ' 39' ' ' ASN . 81.0 t -127.9 138.85 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HB3' HD11 ' A' ' 76' ' ' LEU . 29.2 mt-10 -86.52 134.88 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 9.6 m -131.83 144.71 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 108.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 1.2 tt -91.92 115.7 28.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.937 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.92 153.99 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.533 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 173.44 -172.82 45.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' THR . 3.3 t0 -130.02 -177.39 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 72' ' ' THR . 0.9 OUTLIER -69.12 56.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.257 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' GLU . 23.9 p -158.44 -54.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.405 ' C ' ' SG ' ' A' ' 74' ' ' CYS . . . -160.08 -176.25 31.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.541 ' CA ' HG11 ' A' ' 19' ' ' VAL . 1.7 m -147.16 163.37 36.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.594 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -152.61 163.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -89.38 104.36 16.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 78' ' ' THR . 1.1 t80 -103.88 141.89 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.599 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 88.6 m -98.31 132.86 43.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.663 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -123.88 131.15 53.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' A' ' 63' ' ' ILE . 1.1 mmt180 -73.06 172.3 11.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -49.81 -23.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 80' ' ' ARG . 2.1 m-20 -90.36 -57.14 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -54.77 -42.73 72.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.8 p -38.6 -46.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 58.9 m-20 -54.61 -55.08 33.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.804 HD22 ' HB2' ' A' ' 119' ' ' ALA . 7.9 mt -63.5 -37.23 86.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.937 ' CE ' HG21 ' A' ' 68' ' ' ILE . 47.0 mmm -87.91 38.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.432 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.22 155.71 93.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.405 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 132.2 15.14 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.42 21.47 62.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -124.63 160.26 28.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.648 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 61.6 m -116.4 143.19 45.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.475 HG13 ' C ' ' A' ' 92' ' ' THR . 23.9 m -155.18 153.75 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.707 ' CG1' HG23 ' A' ' 32' ' ' THR . 29.7 mt -107.48 160.51 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.871 HD22 HD21 ' A' ' 109' ' ' LEU . 4.4 mp -121.73 114.96 21.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 12.0 mtp180 -107.78 113.18 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.4 t30 79.65 34.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.8 p -80.15 145.16 32.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -113.55 171.74 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mm -125.94 123.76 64.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.453 ' OD2' ' NH2' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -94.64 125.76 39.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -72.84 102.2 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.7 t80 -90.62 159.06 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.46 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.784 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.67 32.21 61.32 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.784 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.2 p -162.31 -173.25 3.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.43 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -151.34 175.14 12.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.453 ' NH2' ' OD2' ' A' ' 101' ' ' ASP . 35.6 mtm105 -155.1 166.4 33.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.871 HD21 HD22 ' A' ' 95' ' ' LEU . 20.0 tp -97.3 136.72 37.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.07 163.18 29.4 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.1 t -124.7 130.67 73.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.62 175.93 9.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -20.66 64.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -93.69 10.37 33.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 107.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -128.97 140.3 11.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.28 161.32 35.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.536 ' HB ' HD13 ' A' ' 86' ' ' LEU . 2.7 mt -77.68 153.8 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -96.4 -57.51 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.804 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 84.36 49.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.576 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.1 OUTLIER -37.84 -59.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 110.405 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.576 ' H ' HG23 ' A' ' 120' ' ' THR . . . 140.74 -62.89 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.38 143.93 30.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 1.091 ' HB1' ' CE2' ' A' ' 125' ' ' PHE . . . -88.35 -51.35 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER 83.39 -3.47 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 1.091 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 7.5 p90 -114.95 159.63 20.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.7 m -94.74 121.89 36.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.827 HG21 HD11 ' A' ' 36' ' ' ILE . 20.7 t -59.47 126.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 5.6 tttt -62.71 86.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.9 53.49 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -142.99 -47.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.717 ' O ' HD23 ' A' ' 133' ' ' LEU . 65.2 t30 -91.94 45.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.493 ' OD1' ' CB ' ' A' ' 134' ' ' SER . 59.6 t-20 -63.8 103.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.771 HD11 ' O ' ' A' ' 19' ' ' VAL . 3.6 mt -64.35 -12.69 44.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.493 ' CB ' ' OD1' ' A' ' 132' ' ' ASN . 1.2 p -77.74 1.55 19.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.967 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 132' ' ' ASN . 7.6 mt -120.59 -67.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' A' ' 133' ' ' LEU . 10.1 p -40.04 158.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 32.2 mt-10 -122.14 138.63 54.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 110.354 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 10.1 m-30 -92.22 21.1 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -135.19 95.73 3.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 24.8 p -54.32 136.68 43.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 125.62 153.01 8.34 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.3 m -45.3 144.98 1.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.31 95.23 2.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.92 96.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.735 . . . . 0.0 110.028 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -165.35 144.18 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.35 -133.77 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.55 117.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.986 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.28 118.48 11.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.052 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.15 -145.07 17.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m 61.34 125.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.3 m 59.15 105.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.96 105.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -77.43 175.95 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -154.48 135.65 13.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.22 153.38 81.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.2 t -74.19 -30.06 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' HG22 ' A' ' 30' ' ' THR . 4.7 m-85 -105.05 168.56 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -108.24 -170.83 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 15.5 mmtt -133.73 179.29 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.796 HG12 HD11 ' A' ' 133' ' ' LEU . 98.3 t -74.56 -40.97 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.56 -6.49 44.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.96 1.84 48.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 100' ' ' ILE . 53.9 mt -79.91 157.07 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 9.7 mttt -171.6 166.23 4.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.39 31.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.94 35.83 17.39 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -134.48 157.81 45.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -150.94 173.76 13.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.69 92.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -118.79 155.13 31.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.57 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.495 HG22 ' CE2' ' A' ' 16' ' ' PHE . 3.6 m -134.85 104.6 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -153.12 166.97 30.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.777 HG23 HG13 ' A' ' 94' ' ' ILE . 7.2 m -104.65 111.17 23.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.49 134.7 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -107.63 120.19 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.7 t -65.48 145.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.803 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -119.04 -50.81 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 7.1 mt-10 -136.65 163.02 31.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -149.51 107.52 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.618 ' C ' HG13 ' A' ' 64' ' ' VAL . 13.3 m-80 -139.08 148.86 43.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 pt -53.52 159.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.685 HG22 ' CG ' ' A' ' 65' ' ' GLU . 41.4 t -76.81 94.6 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' O ' HG22 ' A' ' 44' ' ' VAL . 21.3 m -106.48 157.78 34.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 116.73 4.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -138.51 -87.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 p -101.49 -94.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.678 ' HD2' HD13 ' A' ' 76' ' ' LEU . 3.1 ptp85 -60.46 89.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.31 108.56 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.3 m -40.42 -72.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.32 133.89 6.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.02 80.2 2.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.786 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 50' ' ' PRO . . . 177.33 92.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.44 89.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.19 102.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.047 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -164.44 92.53 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.2 m 61.35 168.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -43.74 124.14 3.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 62.44 5.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t 51.56 71.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 60.35 150.02 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.42 19.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.18 91.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.98 111.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mm -115.87 129.64 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.618 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.1 t -129.64 138.52 54.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.685 ' CG ' HG22 ' A' ' 41' ' ' VAL . 48.1 mt-10 -90.45 115.43 27.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 7.2 m -112.94 146.9 38.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' ILE . 21.2 tp -92.65 122.16 34.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.847 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.81 154.16 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.678 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 173.63 -165.1 36.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.437 1.086 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.596 ' OD1' ' CE1' ' A' ' 125' ' ' PHE . 11.3 t0 -137.12 -179.23 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -47.46 -23.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.446 ' O ' ' CE ' ' A' ' 128' ' ' LYS . 23.9 p -75.9 -78.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.438 ' C ' HG11 ' A' ' 19' ' ' VAL . . . -146.99 -172.41 17.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.525 ' N ' HG11 ' A' ' 19' ' ' VAL . 1.1 p -140.2 166.18 25.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.677 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -148.22 164.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.678 HD13 ' HD2' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -85.13 114.74 22.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.652 ' HE2' HD21 ' A' ' 95' ' ' LEU . 2.0 t80 -116.09 140.37 49.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 82.9 m -99.59 129.06 45.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.737 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -121.83 131.25 53.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.9 mmt180 -72.61 172.36 10.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -50.73 -21.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.8 OUTLIER -90.94 -55.92 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.4 -43.44 88.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 2.7 p -38.48 -45.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -54.68 -54.36 42.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.936 HD22 ' HB2' ' A' ' 119' ' ' ALA . 4.3 mt -65.32 -35.38 80.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.847 ' CE ' HG21 ' A' ' 68' ' ' ILE . 62.0 mmm -87.7 41.27 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -74.94 155.73 86.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.4 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.97 133.06 16.17 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.98 20.47 61.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.14 162.38 22.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.592 ' OG1' ' HB2' ' A' ' 123' ' ' ALA . 90.9 m -120.68 130.53 54.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.966 HG12 ' HA ' ' A' ' 119' ' ' ALA . 19.4 m -140.02 161.73 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.777 HG13 HG23 ' A' ' 32' ' ' THR . 15.4 mt -117.28 154.73 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.781 HD22 ' CD2' ' A' ' 109' ' ' LEU . 2.2 mp -117.21 114.47 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 3.7 mtt180 -109.66 118.26 36.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 1.7 t30 79.51 20.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.407 ' CB ' HD23 ' A' ' 95' ' ' LEU . 18.6 p -66.83 144.92 56.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.82 140.01 53.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.533 HD11 HD13 ' A' ' 22' ' ' LEU . 12.3 mm -90.91 127.61 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 107' ' ' MET . 2.4 m-20 -94.7 125.52 39.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.422 ' HE1' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -80.29 95.91 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.512 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 8.3 t80 -83.6 158.05 22.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -41.45 97.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' PHE . . . 57.38 38.49 87.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 136' ' ' VAL . 0.0 OUTLIER -167.49 179.89 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.397 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.585 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.1 ptt? -152.88 165.88 34.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -154.29 166.64 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.781 ' CD2' HD22 ' A' ' 95' ' ' LEU . 20.7 tp -94.49 138.16 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -152.76 169.47 31.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.47 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 53.8 t -130.35 130.43 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -80.34 174.32 11.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -23.19 67.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -91.11 12.95 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 107.962 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.3 148.88 17.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -145.01 153.56 41.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.5 mt -78.18 151.87 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.648 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 7.1 tp10 -95.47 -48.35 5.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.966 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 81.25 40.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.532 HG21 HG23 ' A' ' 32' ' ' THR . 1.8 t -39.88 152.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -40.79 -93.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.29 169.1 18.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.592 ' HB2' ' OG1' ' A' ' 92' ' ' THR . . . -91.54 137.0 32.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.7 t -106.87 10.75 30.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.596 ' CE1' ' OD1' ' A' ' 70' ' ' ASP . 5.2 p90 -129.31 160.39 33.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.1 m -102.71 114.82 29.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.803 HG21 HD11 ' A' ' 36' ' ' ILE . 17.2 t -55.69 124.15 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' ' 72' ' ' THR . 3.9 ttmm -79.05 89.72 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 59.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.09 -45.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.425 ' O ' ' CD2' ' A' ' 133' ' ' LEU . 58.6 t30 -86.33 50.46 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.983 ' HB3' HD21 ' A' ' 135' ' ' LEU . 17.9 t-20 -74.05 136.04 43.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.796 HD11 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -113.75 19.37 16.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.683 ' C ' HD13 ' A' ' 135' ' ' LEU . 10.8 p -97.97 -4.38 36.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.983 HD21 ' HB3' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -117.07 -37.53 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 106' ' ' THR . 45.2 t -49.78 164.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.47 ' N ' HG12 ' A' ' 136' ' ' VAL . 43.0 mt-10 -139.48 125.25 19.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 8.2 m-30 -96.34 45.78 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -78.02 147.68 34.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 71.0 p -164.78 166.09 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -61.11 179.19 3.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 76.17 3.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 24.3 m -44.01 -57.37 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.0 m -154.61 90.78 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -162.11 172.31 16.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 110.012 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 p -134.64 165.51 25.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.84 -164.36 18.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 m -160.98 169.74 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.5 167.76 22.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.045 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.07 -148.08 14.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.6 p -163.15 140.69 7.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -171.74 163.1 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 10' ' ' VAL . 11.9 p -169.28 55.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -113.6 149.02 35.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.36 55.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HE3' HG13 ' A' ' 17' ' ' VAL . 4.5 ptmt -170.0 156.88 6.0 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -167.35 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.21 -34.78 60.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 30' ' ' THR . 5.9 m-85 -106.33 167.88 9.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG13 ' HE3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -109.35 -170.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HD2' HG21 ' A' ' 72' ' ' THR . 15.8 mttt -131.47 176.53 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.684 HG13 ' CG2' ' A' ' 75' ' ' ILE . 79.2 t -73.52 -47.29 45.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 14.3 pt-20 -68.95 -7.47 35.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -10.83 35.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.29 159.0 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -166.37 165.25 10.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.498 ' HB3' ' HE3' ' A' ' 102' ' ' MET . 18.2 Cg_endo -74.98 143.31 28.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.12 43.96 8.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 p -138.12 157.45 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -149.14 169.34 20.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 41.11 93.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -121.4 155.78 34.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.4 HG22 ' CE2' ' A' ' 16' ' ' PHE . 2.8 m -135.46 110.86 9.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.424 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -157.09 165.69 35.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.631 HG23 HG13 ' A' ' 94' ' ' ILE . 4.3 m -100.97 106.02 17.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.3 m -101.62 133.15 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.1 tttt -106.5 123.21 47.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.56 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -69.03 144.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.544 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -119.57 -51.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.27 170.6 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.65 107.67 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.691 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -130.02 145.41 51.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.794 HG22 HG22 ' A' ' 64' ' ' VAL . 13.3 pt -67.2 157.89 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.503 HG12 ' CD ' ' A' ' 65' ' ' GLU . 16.3 m -94.55 126.91 46.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 m -121.49 154.95 59.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG13 ' H ' ' A' ' 45' ' ' THR . 3.2 p -179.21 -59.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.604 ' H ' HG13 ' A' ' 44' ' ' VAL . 9.7 t -175.27 151.91 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -70.83 118.3 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER 87.51 104.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -146.53 158.59 43.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -49.45 164.79 0.31 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 88.46 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.19 -58.36 7.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.4 169.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.7 81.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.971 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.431 HD11 HH21 ' A' ' 62' ' ' ARG . 0.3 OUTLIER -49.05 161.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.53 -59.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -60.58 163.26 9.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 177.36 8.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -43.64 147.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -126.79 152.13 74.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 132.84 15.86 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.83 86.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.431 HH21 HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.77 103.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.566 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.6 mm -104.69 135.22 43.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 40' ' ' ILE . 87.1 t -141.31 139.87 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' CD ' HG12 ' A' ' 41' ' ' VAL . 22.8 mt-10 -86.29 131.74 34.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.7 m -129.37 148.98 51.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 108.313 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.443 HD21 ' OE1' ' A' ' 129' ' ' GLU . 22.1 tp -97.18 118.52 33.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.857 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -134.32 153.2 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.657 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 172.1 -157.98 28.25 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.459 1.099 . . . . 0.0 111.052 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.505 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 12.2 t0 -136.14 -179.4 5.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -50.66 -25.13 3.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.463 HG21 ' HD2' ' A' ' 18' ' ' LYS . 51.1 p -70.78 -79.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -140.51 -172.72 13.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.43 ' CA ' HG11 ' A' ' 19' ' ' VAL . 1.1 p -144.28 157.57 44.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.684 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.06 163.47 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 76' ' ' LEU . 11.3 mt -88.65 121.75 31.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.788 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.4 t80 -124.83 134.91 52.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.566 ' CG2' HD12 ' A' ' 63' ' ' ILE . 22.3 m -88.98 129.17 35.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -116.55 133.83 55.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.443 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.43 164.43 26.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.569 ' O ' HG12 ' A' ' 84' ' ' VAL . 47.5 t-20 -45.59 -24.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -87.03 -63.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 84' ' ' VAL . 20.8 mt-30 -52.14 -37.7 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.9 p -38.45 -41.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -55.93 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.927 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.9 mt -63.58 -27.53 69.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.857 ' CE ' HG21 ' A' ' 68' ' ' ILE . 51.1 mmm -96.33 38.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.38 156.25 85.48 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 132.95 15.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.17 22.81 58.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.21 158.54 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.871 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 23.1 m -114.34 136.42 53.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.727 HG11 ' O ' ' A' ' 86' ' ' LEU . 21.8 m -148.54 160.37 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.631 HG13 HG23 ' A' ' 32' ' ' THR . 7.4 mt -114.1 159.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.788 HD21 ' CE2' ' A' ' 77' ' ' PHE . 2.7 mp -121.07 115.53 23.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.01 125.71 53.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 70.61 25.9 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.6 p -68.14 141.91 55.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.04 146.4 34.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.567 HD12 ' SD ' ' A' ' 107' ' ' MET . 21.3 mm -103.97 118.43 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 107' ' ' MET . 1.0 OUTLIER -94.3 124.33 38.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.508 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.35 96.4 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.691 ' HB3' HG23 ' A' ' 106' ' ' THR . 5.1 t80 -81.36 159.08 24.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.618 ' O ' HG22 ' A' ' 106' ' ' THR . 0.7 OUTLIER -40.21 96.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.775 ' C ' HG22 ' A' ' 106' ' ' THR . . . 58.9 52.66 52.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.775 HG22 ' C ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER 169.28 179.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.365 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.567 ' SD ' HD12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -147.7 158.87 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -137.1 167.46 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.693 ' CD2' HD22 ' A' ' 95' ' ' LEU . 16.3 tp -95.33 139.75 31.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -158.44 168.92 34.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.67 122.2 54.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.57 175.86 7.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -21.49 66.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -95.02 25.88 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -142.47 145.93 16.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.45 155.74 47.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.9 mt -77.45 155.92 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -97.48 -56.31 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.927 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 84.16 51.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.509 ' HB ' HD12 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -40.23 -53.76 2.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.414 ' H ' HG23 ' A' ' 120' ' ' THR . . . 140.36 -79.95 0.27 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.68 153.54 51.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.751 . . . . 0.0 109.287 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.871 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -99.47 141.76 31.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.97 14.9 30.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.059 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.505 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.0 p90 -128.69 156.93 42.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.6 m -98.98 110.19 22.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.544 HG21 HD11 ' A' ' 36' ' ' ILE . 40.9 t -56.66 140.23 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.49 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 4.4 ttpt -101.57 106.62 17.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.443 ' OE1' HD21 ' A' ' 67' ' ' LEU . 1.1 mt-10 -86.56 48.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -127.25 -44.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.49 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 49.0 t30 -92.36 43.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.689 ' ND2' HD11 ' A' ' 135' ' ' LEU . 2.9 m-20 -62.7 136.2 57.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.626 HD11 HG12 ' A' ' 19' ' ' VAL . 2.5 mt -97.8 -2.09 41.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.42 ' OG ' HD23 ' A' ' 135' ' ' LEU . 1.4 p -94.6 -22.48 18.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.689 HD11 ' ND2' ' A' ' 132' ' ' ASN . 0.2 OUTLIER -106.85 38.85 1.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 133' ' ' LEU . 8.7 p -155.71 145.31 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.506 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 26.1 mt-10 -115.97 134.76 54.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' GLY . 22.9 m-85 -92.62 47.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -106.1 149.85 26.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.5 p 169.44 -45.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 132.27 -163.66 23.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 77.59 3.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.71 146.23 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.46 102.6 15.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 0.0 111.043 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -168.51 141.05 2.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.97 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t 177.06 126.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.27 117.87 0.42 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t 179.32 139.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.978 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.6 157.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.29 122.95 4.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.6 t -177.1 160.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.0 m -105.74 122.94 47.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.394 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -152.33 87.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -49.09 166.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -125.1 123.19 39.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -171.84 153.12 3.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -167.17 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.1 t -71.11 -30.84 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -106.84 164.63 11.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.848 HG13 HD13 ' A' ' 31' ' ' LEU . 11.8 p -93.7 175.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.651 ' H ' HG22 ' A' ' 17' ' ' VAL . 2.0 mmtm -123.44 168.77 12.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.632 HG12 HD11 ' A' ' 133' ' ' LEU . 85.8 t -72.25 -38.97 63.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.76 -8.39 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.01 -9.88 32.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.54 158.57 20.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -165.8 163.31 12.55 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HB3' ' HE3' ' A' ' 102' ' ' MET . 18.3 Cg_endo -74.99 141.63 26.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.78 29.22 29.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 27' ' ' THR . 69.0 p -122.34 161.27 23.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 26' ' ' THR . 2.5 p -154.92 176.56 12.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.85 90.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -121.47 158.56 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 0.0 109.585 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.4 m -138.16 106.32 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.848 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -152.89 166.67 31.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.529 HG23 HG21 ' A' ' 120' ' ' THR . 57.5 m -101.53 112.81 25.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.44 137.72 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.572 ' HG3' ' HB2' ' A' ' 123' ' ' ALA . 2.2 tttm -108.6 120.2 41.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.462 ' O ' HD13 ' A' ' 36' ' ' ILE . 2.4 t -69.15 145.19 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.688 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.89 -51.16 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.03 167.11 20.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.77 104.24 2.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.608 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -128.52 135.95 50.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' HA ' HG22 ' A' ' 64' ' ' VAL . 17.1 pt -52.08 155.29 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 41' ' ' VAL . 17.8 m -85.14 109.56 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 m -103.73 157.27 34.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.555 1.818 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -143.89 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.422 ' CG2' ' N ' ' A' ' 46' ' ' ARG . 3.1 t -168.16 -47.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.728 ' NH1' HD23 ' A' ' 76' ' ' LEU . 7.1 mtm180 -76.64 100.4 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt 64.05 76.19 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.2 t -96.54 131.09 43.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 62.2 136.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.457 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.1 Cg_endo -75.0 -48.48 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 50' ' ' PRO . . . 69.28 -72.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -46.64 128.49 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.61 170.54 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -100.11 149.43 23.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m -94.79 -55.52 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' O ' HD23 ' A' ' 54' ' ' LEU . 6.6 mtm180 -87.68 115.88 64.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 66.11 6.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.18 86.88 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 59.03 153.61 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.51 42.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.72 94.08 9.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 108.63 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.4 mm -109.01 129.58 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.608 HG13 ' C ' ' A' ' 39' ' ' ASN . 96.9 t -130.11 140.85 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.717 ' HB3' HD11 ' A' ' 76' ' ' LEU . 35.0 mt-10 -94.0 123.23 37.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -121.65 144.09 48.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD22 HG13 ' A' ' 36' ' ' ILE . 6.5 tt -87.86 118.99 27.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.902 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.54 153.93 39.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.433 ' O ' HG22 ' A' ' 127' ' ' VAL . . . 172.84 -172.35 45.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -131.86 -179.35 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.23 -25.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.453 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 11.6 p -73.07 -79.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.22 -172.46 18.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -138.92 167.84 21.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.703 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -151.17 163.27 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.728 HD23 ' NH1' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -85.04 109.36 18.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.806 ' CE1' HD21 ' A' ' 95' ' ' LEU . 76.7 t80 -109.12 151.04 26.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.6 m -106.13 125.61 51.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.681 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -115.36 132.06 56.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.3 mmm-85 -72.78 169.81 15.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -50.75 -21.69 1.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -91.59 -55.78 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' VAL . 2.1 mt-30 -57.21 -40.26 77.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' GLN . 2.6 p -38.17 -44.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 14.4 m-20 -57.78 -54.95 41.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.941 HD22 ' HB2' ' A' ' 119' ' ' ALA . 4.2 mt -63.53 -31.44 72.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.902 ' CE ' HG21 ' A' ' 68' ' ' ILE . 61.0 mmm -91.95 41.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -75.01 155.19 86.62 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.36 15.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.15 21.86 58.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.77 158.91 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.878 ' OG1' ' HB2' ' A' ' 123' ' ' ALA . 32.8 m -116.11 132.98 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.731 HG12 ' HA ' ' A' ' 119' ' ' ALA . 25.4 m -145.31 159.61 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.56 HD12 ' HB ' ' A' ' 120' ' ' THR . 7.9 mt -111.21 150.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.806 HD21 ' CE1' ' A' ' 77' ' ' PHE . 1.9 mp -114.91 114.37 25.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -106.61 147.93 28.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 48.87 26.14 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.9 p -70.62 138.55 50.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.66 159.93 15.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' A' ' 107' ' ' MET . 16.0 mm -113.2 121.59 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 107' ' ' MET . 3.8 m-20 -94.81 123.9 38.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.534 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -81.11 101.64 9.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.656 ' HB3' HG23 ' A' ' 106' ' ' THR . 4.9 t80 -86.77 158.84 19.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.522 ' O ' HG22 ' A' ' 106' ' ' THR . 17.4 mtmt -40.61 97.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.781 ' C ' HG22 ' A' ' 106' ' ' THR . . . 61.47 55.02 31.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.781 HG22 ' C ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER 165.27 176.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.378 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.555 ' SD ' HD12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -138.94 160.83 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.661 HH21 HD12 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -138.68 167.5 21.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.703 ' HB3' HD11 ' A' ' 75' ' ' ILE . 15.7 tp -96.93 141.82 29.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -159.13 164.0 33.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.416 HG13 ' HA3' ' A' ' 115' ' ' GLY . 62.6 t -125.78 138.52 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -93.43 174.21 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -59.99 -28.02 67.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.411 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 5.8 m95 -86.25 5.18 35.56 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.416 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -120.75 145.54 17.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -143.55 157.44 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.39 156.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.641 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -98.96 -52.93 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.941 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 81.57 46.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.56 ' HB ' HD12 ' A' ' 94' ' ' ILE . 1.7 t -47.45 173.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.419 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -59.16 -96.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -122.47 168.49 12.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.878 ' HB2' ' OG1' ' A' ' 92' ' ' THR . . . -75.06 -62.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 2.7 t 82.35 -1.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 34' ' ' LYS . 6.7 p90 -133.61 161.44 34.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 84.2 m -104.06 124.3 48.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.688 HG21 HD11 ' A' ' 36' ' ' ILE . 43.6 t -64.02 141.57 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -97.81 85.88 3.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.96 -13.4 34.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -21.21 60.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -117.73 63.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.605 ' CB ' HD12 ' A' ' 135' ' ' LEU . 2.5 t-20 -88.89 124.38 34.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.639 HD23 ' N ' ' A' ' 133' ' ' LEU . 0.5 OUTLIER -84.85 -5.46 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -2.92 34.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.605 HD12 ' CB ' ' A' ' 132' ' ' ASN . 11.0 mt -115.51 32.65 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.5 p -160.12 143.65 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 25.6 mt-10 -108.07 134.21 51.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 106' ' ' THR . 22.3 m-85 -90.72 166.56 13.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 53.56 80.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.17 104.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -119.27 -167.34 13.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 66.4 5.98 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 75.1 m -167.31 156.08 9.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.67 -54.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -172.23 171.76 4.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m 64.28 155.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.95 127.66 1.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.99 154.62 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 p -163.65 159.7 21.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.23 177.18 42.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -174.75 104.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.989 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.3 p -142.83 159.54 42.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 10' ' ' VAL . 6.3 p -166.34 59.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -109.01 130.72 55.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.89 68.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.38 159.64 30.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.3 36.47 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 16' ' ' PHE . 74.7 t -116.72 -80.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 15' ' ' VAL . 29.6 m-85 54.58 163.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -169.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 2.4 mttm -133.27 167.22 20.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.718 HG12 ' CD1' ' A' ' 133' ' ' LEU . 60.4 t -62.71 -53.01 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -61.43 -13.84 23.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.51 2.31 53.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.0 mt -84.93 152.71 23.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -163.15 167.4 11.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.503 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.3 Cg_endo -74.97 143.5 29.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.87 8.5 67.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 27' ' ' THR . 43.0 p -108.2 159.67 16.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 110.368 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 26' ' ' THR . 3.9 p -155.96 174.0 15.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' THR . . . 36.46 90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.57 1.169 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.491 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 79.2 m-70 -122.66 158.05 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 5.6 m -133.09 115.53 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -162.29 166.85 24.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.83 HG23 HG13 ' A' ' 94' ' ' ILE . 20.2 m -101.46 122.16 43.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.92 135.29 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.496 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.2 tttt -107.21 118.68 37.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.241 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.602 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.9 t -66.49 147.16 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.821 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -122.08 -50.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -133.4 161.89 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.34 106.0 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.656 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -128.86 141.68 51.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.625 HG22 HG22 ' A' ' 64' ' ' VAL . 34.8 pt -57.31 157.65 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 65' ' ' GLU . 5.0 m -86.55 100.79 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.595 HG13 HG13 ' A' ' 40' ' ' ILE . 6.8 m -110.2 159.06 33.39 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' O ' HG23 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.05 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 43' ' ' PRO . 2.2 t -152.65 -61.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -146.53 167.92 22.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 mtm105 69.27 -61.79 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -97.97 71.05 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.0 m -104.16 51.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -61.62 -53.04 64.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.4 Cg_endo -74.98 178.97 6.55 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.43 1.753 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.32 -53.72 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 m -111.84 153.82 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.974 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 m -54.28 114.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.98 79.72 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.64 118.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 62.04 91.07 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.32 97.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.0 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -121.22 150.0 52.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -41.48 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p -89.39 93.23 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.06 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.22 117.09 3.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 80' ' ' ARG . 2.6 mm -130.48 132.77 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.656 HG13 ' C ' ' A' ' 39' ' ' ASN . 99.5 t -134.16 140.11 46.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.518 ' CG ' HD11 ' A' ' 76' ' ' LEU . 32.9 mt-10 -90.76 128.66 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.55 153.57 45.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.456 HD21 ' SG ' ' A' ' 74' ' ' CYS . 5.8 tt -100.82 116.44 32.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.923 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.92 152.33 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.501 ' O ' HG22 ' A' ' 127' ' ' VAL . . . 170.34 -167.94 41.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.467 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 2.2 t70 -128.77 -179.7 5.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 72' ' ' THR . 4.2 pt-20 -46.1 -26.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 17.3 p -67.04 -78.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.33 -173.21 21.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.456 ' SG ' HD21 ' A' ' 67' ' ' LEU . 8.2 p -134.58 169.05 17.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.623 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.05 162.17 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -88.29 100.91 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.792 ' CE2' HD21 ' A' ' 95' ' ' LEU . 7.3 t80 -105.41 138.68 41.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 91.1 m -93.77 132.11 38.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.681 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -121.68 129.65 52.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HA ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -72.11 169.87 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' VAL . 51.0 t30 -50.26 -20.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -90.69 -59.74 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 86' ' ' LEU . 30.8 mt-30 -57.55 -41.79 81.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' GLN . 5.4 p -37.35 -47.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 84' ' ' VAL . 8.7 m-20 -55.11 -54.55 41.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.919 HD22 ' HB2' ' A' ' 119' ' ' ALA . 2.3 mt -64.34 -28.23 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.923 ' CE ' HG21 ' A' ' 68' ' ' ILE . 60.6 mmm -93.16 35.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.476 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.2 158.38 88.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.32 13.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.27 27.64 51.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -128.95 137.78 51.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.504 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 21.8 m -93.7 129.66 39.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.799 HG11 ' O ' ' A' ' 86' ' ' LEU . 35.0 m -141.36 152.69 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.83 HG13 HG23 ' A' ' 32' ' ' THR . 4.7 mt -111.65 149.37 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.997 HD22 HD21 ' A' ' 109' ' ' LEU . 2.8 mp -110.95 128.3 55.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -119.66 121.12 38.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 71.91 26.48 2.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.574 ' CB ' HD23 ' A' ' 95' ' ' LEU . 70.0 p -70.35 127.7 33.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 9.1 ptm180 -102.89 159.26 15.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -108.18 122.59 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.414 ' OD1' ' NH2' ' A' ' 99' ' ' ARG . 4.0 m-20 -95.26 124.43 39.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.432 ' HE3' ' O ' ' A' ' 106' ' ' THR . 8.5 tpt -72.99 120.78 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' GLY . 5.3 t80 -112.27 158.97 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' A' ' 106' ' ' THR . 3.5 ptpt -39.85 95.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.663 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.63 41.4 73.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -170.87 -179.37 2.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 110.349 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.607 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 0.7 OUTLIER -149.94 172.95 14.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -155.03 159.89 40.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.997 HD21 HD22 ' A' ' 95' ' ' LEU . 34.3 tp -96.71 136.15 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -152.52 178.57 29.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 t -132.92 126.37 53.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.88 170.56 16.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -59.52 -22.26 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 7.2 m95 -93.92 25.49 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -146.5 145.43 14.33 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.84 158.86 43.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 0.769 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 mt -78.81 155.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.3 tt0 -94.76 -53.05 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.919 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 84.16 44.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.607 HG21 HG23 ' A' ' 32' ' ' THR . 2.1 t -47.83 172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -62.89 -108.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -116.86 178.15 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.504 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -113.86 125.76 54.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 t -91.25 3.02 55.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 6.4 p90 -117.01 160.69 20.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 60.6 m -106.72 117.23 33.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.821 HG21 HD11 ' A' ' 36' ' ' ILE . 59.7 t -54.66 148.01 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.455 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 7.0 tttt -105.58 102.34 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.36 53.99 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.45 -47.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.565 ' O ' HD23 ' A' ' 133' ' ' LEU . 41.2 t30 -87.55 46.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.563 ' HB3' HD12 ' A' ' 135' ' ' LEU . 10.8 t-20 -59.41 133.77 56.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.718 ' CD1' HG12 ' A' ' 19' ' ' VAL . 6.0 mt -94.91 -14.65 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -84.07 3.81 33.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 132' ' ' ASN . 20.9 mt -113.15 -57.39 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 133' ' ' LEU . 4.3 p -53.3 136.97 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 17.7 mt-10 -102.55 142.1 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.607 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 19.7 m-30 -100.25 146.33 27.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -134.06 -61.72 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t -171.59 87.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -151.18 132.53 3.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -40.76 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.77 136.75 14.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.9 p -61.44 122.46 15.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -161.98 -54.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m 62.29 157.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.52 107.49 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.41 151.05 14.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.62 143.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.65 161.65 1.69 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.23 166.82 14.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.0 p -124.94 130.66 52.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 10' ' ' VAL . 7.6 p -162.43 57.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.28 146.18 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -120.76 92.4 3.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.28 153.29 1.91 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -166.22 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.1 t -72.89 -31.44 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -102.68 160.8 14.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 1.3 m -102.44 -170.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 31' ' ' LEU . 6.4 mttt -135.11 -179.98 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.752 HG12 HD11 ' A' ' 133' ' ' LEU . 94.2 t -74.72 -39.85 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -71.62 -8.54 54.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.57 -4.44 50.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -79.92 154.24 28.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.25 168.83 8.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.593 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.4 Cg_endo -75.0 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.553 1.817 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.08 33.85 5.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 27' ' ' THR . 68.2 p -128.64 160.04 33.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 26' ' ' THR . 2.4 p -152.68 167.4 29.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.62 93.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -122.35 144.63 48.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 0.0 109.575 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 17' ' ' VAL . 26.8 m -124.55 113.24 17.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -161.37 168.73 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.586 HG23 HG13 ' A' ' 94' ' ' ILE . 27.6 m -104.31 108.44 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -101.71 136.99 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.4 tttt -110.92 119.94 40.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.6 t -66.32 145.64 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.631 HD11 HG21 ' A' ' 127' ' ' VAL . 1.9 mm -121.88 -47.72 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.9 mt-10 -135.46 160.6 37.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.13 107.29 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.674 ' C ' HG13 ' A' ' 64' ' ' VAL . 1.5 m-80 -139.04 154.16 48.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.8 pt -52.88 157.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG22 ' CD ' ' A' ' 65' ' ' GLU . 38.1 t -77.88 114.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.6 m -106.48 156.48 36.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.04 103.97 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.708 ' O ' HG12 ' A' ' 44' ' ' VAL . 19.3 t -151.63 69.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p 44.83 46.9 9.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 46' ' ' ARG . 14.5 ttm105 -172.83 88.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.35 -72.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.8 m 57.35 70.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.14 152.21 43.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -60.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.3 -62.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.25 87.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m 44.68 66.94 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 56' ' ' ARG . 0.1 OUTLIER 55.68 68.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.65 -94.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 54' ' ' LEU . 4.5 mtm105 -57.42 156.4 16.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 163.16 35.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.5 p -158.64 -174.64 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -46.78 150.38 1.29 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.02 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 p -80.75 79.9 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -54.76 99.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mm -99.38 128.88 50.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.674 HG13 ' C ' ' A' ' 39' ' ' ASN . 79.4 t -135.0 137.53 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.651 ' HB3' HD11 ' A' ' 76' ' ' LEU . 59.4 mt-10 -87.88 140.33 29.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 10.8 m -136.91 148.28 46.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 67' ' ' LEU . 14.6 tp -93.99 116.07 28.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.949 HG21 ' HE1' ' A' ' 87' ' ' MET . 0.1 OUTLIER -129.49 154.18 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.575 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 167.8 -170.14 41.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -126.63 -179.29 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -25.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.429 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.7 p -70.68 -79.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.16 -172.26 17.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.457 ' CA ' HG11 ' A' ' 19' ' ' VAL . 24.0 p -142.38 169.7 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.592 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.0 163.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -84.67 104.08 14.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.852 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.8 t80 -103.76 144.08 31.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.563 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 56.6 m -101.91 130.67 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.744 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -121.52 133.59 55.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -72.85 169.16 17.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.438 ' O ' HG12 ' A' ' 84' ' ' VAL . 16.3 p-10 -47.91 -23.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.4 OUTLIER -89.25 -59.35 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -54.7 -42.1 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.3 p -37.58 -45.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -58.71 -53.72 55.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.837 HD22 ' HB2' ' A' ' 119' ' ' ALA . 12.3 mt -63.94 -31.53 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.949 ' HE1' HG21 ' A' ' 68' ' ' ILE . 57.8 mmm -91.11 37.36 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.455 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -71.23 157.06 90.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 131.64 14.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.62 19.85 59.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -122.62 151.37 41.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.849 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 48.2 m -111.83 127.73 55.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.937 HG12 ' HA ' ' A' ' 119' ' ' ALA . 35.3 m -138.51 155.79 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.586 HG13 HG23 ' A' ' 32' ' ' THR . 34.3 mt -109.22 152.88 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.852 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.7 mp -118.39 114.63 23.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -109.17 118.77 37.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.0 t30 80.79 21.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 p -67.02 127.91 34.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.41 146.24 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.44 HD11 HD13 ' A' ' 109' ' ' LEU . 24.5 mm -95.29 124.83 48.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.42 124.86 38.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.43 ' SD ' ' HB3' ' A' ' 24' ' ' PRO . 6.1 tpt -74.56 98.81 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 106' ' ' THR . 10.1 t80 -87.99 159.6 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.436 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 29.5 mtmt -40.16 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.816 ' O ' HG23 ' A' ' 106' ' ' THR . . . 53.46 37.16 55.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.2 p -163.15 174.29 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -143.27 163.67 32.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -153.26 166.73 31.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.491 ' CB ' HD11 ' A' ' 75' ' ' ILE . 13.8 tp -95.83 137.5 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -152.48 173.81 31.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 95' ' ' LEU . 72.2 t -135.92 136.02 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.54 175.84 6.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -21.43 61.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -94.77 27.47 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.437 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -146.5 136.83 6.44 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.59 154.02 48.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.0 mt -78.14 156.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.726 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.6 tt0 -95.75 -60.11 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.937 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 88.84 36.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.528 HG21 HG23 ' A' ' 32' ' ' THR . 1.6 t -41.07 162.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.76 88.46 1.59 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 56.08 166.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.849 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -105.69 148.57 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.5 t -101.99 19.52 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.946 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -136.98 165.72 25.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.7 m -106.61 109.97 22.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.631 HG21 HD11 ' A' ' 36' ' ' ILE . 52.9 t -54.9 146.44 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 130' ' ' ASP . 3.5 ttpt -101.19 83.74 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.18 65.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -163.89 -42.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -85.19 50.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 1.0 ' HB2' HD21 ' A' ' 135' ' ' LEU . 0.5 OUTLIER -76.16 143.1 41.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.752 HD11 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.05 21.04 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.788 ' C ' HD13 ' A' ' 135' ' ' LEU . 0.9 OUTLIER -101.0 -1.19 34.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 1.0 HD21 ' HB2' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -113.44 -32.74 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.504 ' O ' HG22 ' A' ' 106' ' ' THR . 13.9 p -60.81 148.92 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.492 ' HG2' HG23 ' A' ' 106' ' ' THR . 40.1 mt-10 -120.35 128.11 52.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.593 ' CD2' ' HG3' ' A' ' 24' ' ' PRO . 21.4 m-85 -97.91 35.32 1.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -132.94 169.02 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.18 -46.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -165.2 -157.89 10.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 85.27 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.23 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.23 98.76 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -169.89 165.44 9.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -166.97 166.82 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.93 177.36 41.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.55 149.19 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.976 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 p -165.33 156.09 13.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.51 -179.6 42.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.93 -170.77 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -68.11 145.04 54.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 m -143.96 69.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 151.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.58 130.76 54.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.369 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -173.99 158.72 2.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.12 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.565 1.824 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -67.1 -32.21 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -109.99 169.0 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.86 HG13 HD13 ' A' ' 31' ' ' LEU . 14.6 p -95.49 173.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.593 ' H ' HG22 ' A' ' 17' ' ' VAL . 4.1 mmtt -121.71 171.73 8.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.598 HG12 ' CD1' ' A' ' 133' ' ' LEU . 94.8 t -73.19 -42.98 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.93 -7.13 32.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -92.46 -15.31 27.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.7 154.04 37.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.22 158.4 29.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HB3' ' CE ' ' A' ' 102' ' ' MET . 18.2 Cg_endo -75.02 56.84 4.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' C ' HG23 ' A' ' 26' ' ' THR . . . 177.62 48.72 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.51 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 40.8 p -152.98 151.34 30.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -136.64 165.72 25.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.87 92.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.51 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.1 m-70 -115.2 158.87 21.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.592 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.409 HG23 ' HD3' ' A' ' 96' ' ' ARG . 32.5 m -138.91 105.7 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.86 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -154.17 163.48 40.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.692 HG23 HG13 ' A' ' 94' ' ' ILE . 8.7 m -97.35 108.3 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.5 m -101.74 137.19 30.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 1.9 tttt -108.15 120.54 42.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.5 t -67.88 145.14 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -120.22 -48.74 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 4.5 mt-10 -139.01 165.24 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.447 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -153.82 106.3 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.522 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -129.17 142.04 50.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.515 HG22 HG22 ' A' ' 64' ' ' VAL . 29.3 pt -51.21 156.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG22 ' HG3' ' A' ' 65' ' ' GLU . 39.2 t -79.17 100.7 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 m -112.96 158.15 38.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 105.23 2.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 45' ' ' THR . 3.6 p -177.39 111.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER 77.61 -55.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.538 ' N ' HG22 ' A' ' 45' ' ' THR . 5.4 ptp85 -137.33 148.99 46.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.4 -81.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.5 m 65.37 63.81 0.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 63.34 157.88 0.12 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -39.8 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 50.43 90.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.73 78.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.9 132.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.02 61.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m 61.43 141.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 60.84 149.73 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 96.18 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -84.14 -172.69 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -56.03 149.85 32.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 111.82 3.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.65 97.34 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -74.85 -14.03 60.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.45 HG22 HG21 ' A' ' 41' ' ' VAL . 2.2 mm 60.98 129.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.522 HG13 ' C ' ' A' ' 39' ' ' ASN . 96.4 t -130.04 141.33 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.525 ' HG3' HG22 ' A' ' 41' ' ' VAL . 20.0 mt-10 -94.52 127.93 40.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.0 m -125.58 148.82 48.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 67' ' ' LEU . 15.8 tp -97.31 117.82 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.89 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.57 153.32 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.437 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 170.11 -170.64 43.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.592 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -124.86 -179.38 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -31.2 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.449 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.7 p -63.47 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.83 -172.84 18.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.117 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.434 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 25.8 p -137.02 168.89 18.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.568 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.98 163.22 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 101.61 14.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.667 ' CE2' HD21 ' A' ' 95' ' ' LEU . 10.4 t80 -107.28 133.36 51.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 31.2 m -86.71 135.94 33.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.341 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.596 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -122.65 129.48 51.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.44 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -72.15 165.76 23.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.54 ' O ' HG12 ' A' ' 84' ' ' VAL . 31.5 t30 -46.94 -23.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.44 ' N ' ' C ' ' A' ' 80' ' ' ARG . 1.7 m-20 -87.65 -61.53 1.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 84' ' ' VAL . 31.4 mt-30 -54.39 -39.21 67.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.9 p -38.05 -42.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.1 -56.17 25.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.973 HD22 ' HB2' ' A' ' 119' ' ' ALA . 13.5 mt -64.07 -26.07 68.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.89 ' CE ' HG21 ' A' ' 68' ' ' ILE . 51.5 mmm -97.46 44.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.89 153.74 80.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.447 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.04 125.66 9.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.5 28.37 22.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.087 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.15 161.19 35.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.665 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 82.0 m -116.01 137.86 51.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.56 HG11 ' O ' ' A' ' 86' ' ' LEU . 31.1 m -153.43 156.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.692 HG13 HG23 ' A' ' 32' ' ' THR . 12.9 mt -106.2 156.77 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.667 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.5 mp -117.67 114.08 22.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' HD3' HG23 ' A' ' 30' ' ' THR . 0.4 OUTLIER -106.14 130.99 53.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.0 t30 65.9 33.03 8.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.557 ' HB2' HD11 ' A' ' 109' ' ' LEU . 14.0 p -80.64 130.49 35.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -106.44 165.03 11.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.6 mm -117.19 120.73 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.37 125.59 40.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.51 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -72.38 101.71 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 111.044 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.1 t80 -89.08 158.88 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.32 97.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.812 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.99 32.33 62.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.812 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.1 p -163.07 -173.95 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.393 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -153.44 163.48 39.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -147.01 156.73 43.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.248 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.578 ' CD2' HD23 ' A' ' 95' ' ' LEU . 35.4 tp -97.48 134.61 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -148.9 164.78 29.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.8 131.33 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.42 176.25 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -40.94 89.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -68.37 -15.92 63.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.32 145.42 16.53 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.6 ptt85 -142.75 158.78 43.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.434 ' HB ' HD13 ' A' ' 86' ' ' LEU . 10.7 mt -77.09 156.34 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.685 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -99.79 -57.51 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.973 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 83.87 55.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.57 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.0 OUTLIER -42.33 -59.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.57 ' H ' HG23 ' A' ' 120' ' ' THR . . . 149.62 -78.61 0.22 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.0 156.12 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.665 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -97.24 140.66 31.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.25 6.21 32.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.158 . . . . 0.0 109.97 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 4.7 p90 -121.53 167.0 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.2 m -109.28 109.33 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 36' ' ' ILE . 61.9 t -54.85 147.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 131' ' ' ASN . 4.0 ttmm -104.5 96.09 6.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.72 57.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -147.31 -46.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.413 ' CB ' ' HD2' ' A' ' 128' ' ' LYS . 57.6 t30 -83.54 54.22 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.589 ' HB3' HD12 ' A' ' 135' ' ' LEU . 4.3 t-20 -70.23 134.51 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.61 ' HA ' HG12 ' A' ' 136' ' ' VAL . 5.9 mt -95.84 -18.75 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.91 1.15 32.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.589 HD12 ' HB3' ' A' ' 132' ' ' ASN . 12.4 mt -113.75 -56.45 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' ' 133' ' ' LEU . 13.3 p -51.39 147.45 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.477 ' HG2' HG23 ' A' ' 106' ' ' THR . 34.6 mt-10 -117.88 133.17 56.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -93.54 165.06 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.75 -55.08 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.1 p 40.46 86.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -122.19 -160.26 10.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 128.2 11.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 12.6 t 67.2 147.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.48 121.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.45 1.093 . . . . 0.0 110.963 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.39 110.65 3.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 p -174.47 137.46 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.35 166.83 36.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.67 97.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -173.54 147.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.4 -149.79 3.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.79 110.02 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -153.1 146.97 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -164.12 -45.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 160.63 39.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.78 150.94 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.77 157.42 71.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -166.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.47 -30.96 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -115.63 150.39 36.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.82 HG13 HD13 ' A' ' 31' ' ' LEU . 8.3 p -91.08 177.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.731 ' H ' HG22 ' A' ' 17' ' ' VAL . 8.1 mmtp -123.97 163.14 21.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.86 HG12 HD11 ' A' ' 133' ' ' LEU . 57.7 t -64.13 -49.05 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -64.77 -10.03 24.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.75 2.31 53.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 90.4 mt -79.66 150.34 30.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 5.2 mttt -158.74 157.47 28.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 141.62 26.64 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.89 10.57 56.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.2 p -118.18 158.33 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p -146.58 179.32 7.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.438 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 39.39 92.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -122.58 161.22 24.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.588 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -141.27 109.73 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.82 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -155.47 171.09 20.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 HG13 ' A' ' 94' ' ' ILE . 25.0 m -106.02 106.98 17.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.7 m -101.75 134.43 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HD3' HD13 ' A' ' 36' ' ' ILE . 1.3 tttt -108.4 120.51 42.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.5 t -64.42 144.95 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.628 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -120.57 -50.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -135.33 159.76 40.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -150.32 104.78 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.681 ' C ' HG13 ' A' ' 64' ' ' VAL . 4.5 m-80 -138.95 146.27 40.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.744 HG22 HG22 ' A' ' 64' ' ' VAL . 50.2 pt -55.56 158.05 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 41' ' ' VAL . 34.6 m -78.53 113.74 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -97.31 155.48 37.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.59 7.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.81 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 45' ' ' THR . 9.1 p -170.78 -49.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.448 ' N ' HG13 ' A' ' 44' ' ' VAL . 12.4 t -172.49 -41.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -87.67 104.18 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.13 170.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.687 ' O ' HG22 ' A' ' 48' ' ' THR . 5.4 m 50.48 42.98 27.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.371 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.496 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -65.24 -51.74 51.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.99 -170.97 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.96 147.11 24.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m 59.63 114.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -67.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 96.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.66 32.66 4.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.68 149.02 11.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 74.19 4.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 76.5 p -141.29 148.8 40.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -48.05 151.12 1.81 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 127.71 10.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.43 89.75 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 107.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm -111.04 131.03 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.744 HG22 HG22 ' A' ' 40' ' ' ILE . 72.8 t -136.29 139.0 46.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -87.78 126.94 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -125.69 150.95 47.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.251 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.48 119.91 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.904 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.64 152.8 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.466 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 169.96 -164.28 37.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.571 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 3.9 t70 -135.07 -179.51 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 72' ' ' THR . 14.8 pt-20 -44.7 -33.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.418 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 11.5 p -62.15 -78.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.6 -173.09 19.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.411 ' CA ' HG11 ' A' ' 19' ' ' VAL . 13.8 p -140.07 164.09 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.804 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -143.99 163.61 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -89.76 102.02 14.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.598 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.9 t80 -104.4 144.85 31.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.594 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 40.9 m -100.0 132.4 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.737 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -118.76 132.89 56.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.439 ' C ' ' N ' ' A' ' 82' ' ' ASP . 6.2 mtt180 -72.5 164.94 25.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.549 ' O ' HG12 ' A' ' 84' ' ' VAL . 7.4 p-10 -46.49 -23.67 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.439 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -87.89 -63.38 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' LEU . 15.0 mt-30 -52.22 -36.61 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.6 p -39.54 -42.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.01 -50.95 71.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.922 HD22 ' HB2' ' A' ' 119' ' ' ALA . 4.9 mt -63.07 -42.16 99.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.904 ' CE ' HG21 ' A' ' 68' ' ' ILE . 54.4 mmm -80.95 50.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -82.02 151.46 66.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.482 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.02 132.93 15.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.54 23.66 53.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.37 161.5 29.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.492 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 63.3 m -116.66 129.47 56.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.87 HG12 ' HA ' ' A' ' 119' ' ' ALA . 31.1 m -141.0 155.38 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.469 ' HB ' ' HB3' ' A' ' 118' ' ' GLU . 31.5 mt -110.9 151.84 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.772 HD22 ' CD2' ' A' ' 109' ' ' LEU . 1.8 mp -116.1 118.26 32.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 128.79 56.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 t30 69.2 22.47 6.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.477 ' CB ' HD23 ' A' ' 95' ' ' LEU . 88.9 p -70.44 133.14 46.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.74 157.74 18.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.2 mm -107.59 125.54 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.64 126.08 40.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -76.52 96.76 4.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 106' ' ' THR . 6.0 t80 -85.15 156.84 20.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.81 97.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.894 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.83 42.57 92.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -175.18 -179.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.44 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -150.46 166.19 30.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -150.67 163.72 37.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.772 ' CD2' HD22 ' A' ' 95' ' ' LEU . 29.2 tp -97.02 135.82 38.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.41 170.27 30.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.476 HG13 ' C ' ' A' ' 115' ' ' GLY . 2.1 t -130.67 112.47 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -68.85 176.15 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -20.14 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -94.34 22.2 6.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 108.004 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.476 ' C ' HG13 ' A' ' 111' ' ' VAL . . . -143.05 143.43 12.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -136.3 154.7 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 110.262 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.423 ' HB ' HD13 ' A' ' 86' ' ' LEU . 5.7 mt -77.36 155.52 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.692 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -97.54 -59.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.922 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 85.05 44.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 93' ' ' VAL . 1.8 t -47.83 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.441 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -63.04 -98.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.65 168.46 15.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.492 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -94.52 125.47 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.1 p -92.7 8.67 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.571 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.9 p90 -126.2 160.18 30.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 97.3 m -104.17 112.2 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.628 HG21 HD11 ' A' ' 36' ' ' ILE . 43.0 t -56.28 141.68 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 8.9 tttp -98.49 96.48 8.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.33 56.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -146.32 -46.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.404 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 51.6 t30 -85.61 64.6 8.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.861 ' CB ' HD13 ' A' ' 135' ' ' LEU . 1.1 m120 -82.09 138.28 34.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.86 HD11 HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -107.31 10.06 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.7 ' C ' HD12 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -107.2 1.47 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.861 HD13 ' CB ' ' A' ' 132' ' ' ASN . 0.6 OUTLIER -107.25 -68.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 137' ' ' GLU . 14.9 p -44.88 166.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.483 ' N ' HG22 ' A' ' 136' ' ' VAL . 41.9 mt-10 -132.19 137.4 47.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -95.83 163.89 12.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -81.34 118.68 22.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.0 167.45 22.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 96.23 150.04 26.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.63 5.88 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.1 p -53.36 108.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.8 t -156.74 107.21 2.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.12 170.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -137.95 172.56 12.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.98 143.07 7.9 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.73 136.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.803 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -176.94 169.0 2.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.26 -165.45 10.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' A' ' 9' ' ' THR . 57.9 p -161.34 131.15 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 8' ' ' SER . 9.8 t -175.15 141.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 p 179.37 128.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.67 170.33 8.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -140.81 76.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -120.47 154.88 56.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.9 41.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 16' ' ' PHE . 78.2 t -124.71 -83.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.449 ' O ' ' O ' ' A' ' 15' ' ' VAL . 51.4 m-85 56.92 152.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.861 HG13 HD13 ' A' ' 31' ' ' LEU . 9.2 p -94.83 -178.25 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.798 ' H ' HG22 ' A' ' 17' ' ' VAL . 4.6 mmtm -126.13 170.66 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.786 HG12 HD11 ' A' ' 133' ' ' LEU . 90.5 t -73.52 -39.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.32 -5.0 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -97.04 -8.17 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.559 HD13 HD11 ' A' ' 100' ' ' ILE . 73.2 mt -70.42 140.64 52.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -137.79 160.22 65.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.575 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.4 Cg_endo -74.97 55.51 3.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.464 ' C ' HG23 ' A' ' 26' ' ' THR . . . 166.67 62.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 71.3 p -153.03 147.55 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 28' ' ' GLY . 19.0 p -133.79 168.12 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' THR . . . 42.79 95.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.9 m-70 -122.77 159.26 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.569 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.5 m -140.54 104.75 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.861 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -152.09 167.08 29.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.715 HG23 HG13 ' A' ' 94' ' ' ILE . 2.9 m -102.49 107.84 18.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.9 m -103.59 134.24 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.581 ' HG3' ' HB2' ' A' ' 123' ' ' ALA . 10.0 tttt -107.1 120.01 40.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 91' ' ' ALA . 2.4 t -65.09 146.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.498 HD13 ' HD3' ' A' ' 34' ' ' LYS . 1.8 mm -120.91 -47.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 6.1 mt-10 -138.22 163.52 31.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.56 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -155.38 107.48 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.591 ' C ' HG13 ' A' ' 64' ' ' VAL . 2.1 m-80 -138.98 145.47 39.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.503 HG22 HG22 ' A' ' 64' ' ' VAL . 50.0 pt -52.37 158.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG22 ' CD ' ' A' ' 65' ' ' GLU . 4.1 t -77.65 100.95 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -95.61 159.06 33.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' C ' HG12 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -74.97 170.78 19.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 43' ' ' PRO . 7.7 p 41.51 65.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 6.7 t -135.89 171.86 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 63.62 -76.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' THR . 0.0 OUTLIER -165.15 -49.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.1 p -55.6 156.6 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -88.64 169.34 13.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.07 6.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 59.14 172.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.26 121.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 t 62.54 81.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.27 75.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.2 m -150.21 177.75 9.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 54.68 86.78 0.16 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 58' ' ' SER . 18.1 Cg_endo -75.0 -47.27 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 57' ' ' PRO . 1.4 t 83.58 -58.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.7 153.09 22.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 66.82 6.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -89.96 86.86 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.68 98.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.431 HD12 ' CG2' ' A' ' 78' ' ' THR . 1.4 mm -100.19 126.93 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.591 HG13 ' C ' ' A' ' 39' ' ' ASN . 78.5 t -127.58 140.19 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' CD ' HG22 ' A' ' 41' ' ' VAL . 19.6 mt-10 -90.63 124.61 35.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 5.1 m -123.58 152.12 42.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 31.6 tp -100.88 120.68 40.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.94 HG21 ' HE1' ' A' ' 87' ' ' MET . 0.1 OUTLIER -132.38 153.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.593 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 171.31 -175.67 44.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD1' ' CD1' ' A' ' 125' ' ' PHE . 11.1 t0 -129.14 -178.83 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.11 -27.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.456 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 9.3 p -69.97 -79.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.14 -172.5 18.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.424 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 27.7 p -140.44 168.27 20.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.611 ' CD1' HD11 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -149.38 163.55 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 134' ' ' SER . 0.0 OUTLIER -87.09 101.84 13.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.882 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.7 t80 -101.42 143.28 31.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 30.1 m -102.12 126.51 49.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.443 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -117.63 133.27 56.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.2 mtt180 -72.6 169.69 16.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.421 ' O ' HG12 ' A' ' 84' ' ' VAL . 65.6 t30 -48.67 -22.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -89.84 -59.51 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -53.56 -40.31 65.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.9 p -38.59 -46.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -54.95 -56.09 23.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.884 HD22 ' HB2' ' A' ' 119' ' ' ALA . 13.0 mt -63.84 -30.32 71.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.94 ' HE1' HG21 ' A' ' 68' ' ' ILE . 60.4 mmm -95.67 43.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -76.17 155.66 84.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 134.56 17.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.7 22.74 63.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -128.01 154.1 46.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.828 HG21 ' HA ' ' A' ' 123' ' ' ALA . 96.4 m -110.52 137.12 48.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.701 ' HA ' HG22 ' A' ' 120' ' ' THR . 15.1 m -148.54 162.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.715 HG13 HG23 ' A' ' 32' ' ' THR . 16.4 mt -113.0 155.15 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.882 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.5 mp -120.01 113.85 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -108.39 127.87 54.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.83 19.22 3.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.4 p -69.62 128.42 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 154.86 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.559 HD11 HD13 ' A' ' 22' ' ' LEU . 19.1 mm -99.78 124.28 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.9 125.35 39.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.478 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -77.87 109.33 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 104' ' ' LYS . 16.6 t80 -99.82 158.27 15.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.56 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 40.7 mtmt -40.61 97.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 106' ' ' THR . . . 55.2 42.41 82.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -172.64 179.48 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.385 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -153.16 167.86 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.078 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -153.84 166.47 32.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.454 HD13 HD11 ' A' ' 100' ' ' ILE . 15.2 tp -95.49 137.45 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.41 178.31 27.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.429 ' CG1' ' C ' ' A' ' 115' ' ' GLY . 59.4 t -136.55 133.56 49.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.23 175.27 10.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.405 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -64.24 -26.7 68.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.405 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 25.1 m95 -89.67 9.83 25.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.429 ' C ' ' CG1' ' A' ' 111' ' ' VAL . . . -125.43 142.63 13.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.55 163.09 33.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.438 ' HB ' HD13 ' A' ' 86' ' ' LEU . 50.0 mt -78.17 157.29 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.4 tt0 -102.91 -46.18 4.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.884 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 75.05 63.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.815 HG21 HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -38.21 -88.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.654 ' H ' HG23 ' A' ' 120' ' ' THR . . . 161.97 -34.84 0.36 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -159.72 149.86 18.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.828 ' HA ' HG21 ' A' ' 92' ' ' THR . . . -74.8 -67.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 123' ' ' ALA . 1.1 m 85.29 -8.82 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.489 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 3.8 p90 -127.48 156.31 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.9 m -93.85 109.99 21.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 69' ' ' GLY . 76.1 t -62.31 148.0 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 130' ' ' ASP . 1.4 ttpt -96.03 80.28 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.78 62.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -160.11 -43.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -83.52 50.01 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.985 ' HB3' HD21 ' A' ' 135' ' ' LEU . 54.4 t-20 -72.4 143.82 48.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.786 HD11 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.29 22.17 14.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.717 ' C ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -103.99 -1.93 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.985 HD21 ' HB3' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -113.12 -41.27 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 133' ' ' LEU . 7.3 p -54.82 143.7 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.43 ' HG2' HG23 ' A' ' 106' ' ' THR . 36.3 mt-10 -116.81 132.99 56.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.575 ' CD2' ' HG3' ' A' ' 24' ' ' PRO . 19.0 m-85 -96.85 179.43 4.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 138' ' ' TYR . 0.6 OUTLIER 37.65 76.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.5 t -111.85 119.16 37.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -122.75 176.48 16.55 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.94 34.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.67 81.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 m -174.72 164.63 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 111.039 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 p -169.99 156.28 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 0.807 . . . . 0.0 109.948 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -167.59 171.23 10.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.64 -165.38 15.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.5 171.92 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.34 172.28 7.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.36 -157.77 7.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.1 108.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.045 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.2 t -168.41 127.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.5 m -135.81 34.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.36 157.24 36.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.98 79.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -159.44 157.3 26.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -173.52 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.32 -31.68 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CE2' HG22 ' A' ' 30' ' ' THR . 4.6 m-85 -103.65 162.17 13.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.544 HG23 HD13 ' A' ' 31' ' ' LEU . 3.1 m -103.7 -169.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.573 ' C ' HD12 ' A' ' 31' ' ' LEU . 5.4 mttm -130.05 -176.85 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.807 HG12 HD11 ' A' ' 133' ' ' LEU . 91.3 t -76.59 -44.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -69.48 -7.04 34.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -3.88 51.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.8 mt -81.53 150.81 28.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.46 164.3 15.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.94 10.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.52 26.95 5.43 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 27' ' ' THR . 42.5 p -132.71 162.37 31.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 26' ' ' THR . 2.6 p -153.05 168.23 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.78 93.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -122.62 160.42 25.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.605 HG22 ' CE2' ' A' ' 16' ' ' PHE . 2.9 m -136.6 112.15 9.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -160.06 164.98 32.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.799 HG23 HG13 ' A' ' 94' ' ' ILE . 1.1 m -98.27 115.14 27.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -109.82 136.84 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -110.16 120.86 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 88' ' ' LYS . 2.5 t -66.94 143.95 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.584 HD11 HG21 ' A' ' 127' ' ' VAL . 2.1 mm -118.04 -48.98 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.9 mt-10 -137.51 159.04 43.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -150.24 107.97 3.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.706 ' C ' HG13 ' A' ' 64' ' ' VAL . 11.2 m-80 -139.27 152.59 47.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.0 pt -54.8 156.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG12 ' CG ' ' A' ' 65' ' ' GLU . 21.5 m -78.57 114.06 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -119.58 155.99 53.9 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.235 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 110.1 3.05 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.27 -66.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.96 55.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 76' ' ' LEU . 2.6 ttm105 177.61 112.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.56 133.91 53.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 49' ' ' ARG . 68.1 p -92.6 -133.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER 165.33 -53.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.2 Cg_endo -75.01 64.29 6.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.23 73.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.255 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 t -177.93 103.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.92 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.0 149.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 m -157.85 -55.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -162.15 158.92 21.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' GLN . 18.4 Cg_endo -75.04 -164.13 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.5 -85.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -114.87 151.63 45.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 64.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER 43.61 83.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -46.58 95.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' SER . 1.8 mm -92.72 126.57 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.706 HG13 ' C ' ' A' ' 39' ' ' ASN . 70.0 t -130.24 139.26 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.583 ' CG ' HG12 ' A' ' 41' ' ' VAL . 10.2 mt-10 -91.97 116.05 28.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.7 m -113.53 151.45 31.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.346 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.576 HD13 ' OE2' ' A' ' 129' ' ' GLU . 3.4 tt -101.12 118.41 36.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.833 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -130.75 154.99 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.55 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 171.81 -165.19 37.98 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.603 ' OD1' ' CE2' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -136.76 -179.24 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -46.91 -38.57 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 p -59.85 -82.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.21 -172.17 12.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.588 ' SG ' HG13 ' A' ' 127' ' ' VAL . 2.2 m -143.58 161.26 38.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -148.04 164.14 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 6.2 mt -88.09 122.46 31.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CE2' HD21 ' A' ' 95' ' ' LEU . 8.4 t80 -122.11 137.05 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.9 m -92.12 125.3 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -112.08 129.71 56.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.457 ' C ' ' N ' ' A' ' 82' ' ' ASP . 13.7 mtt-85 -72.88 164.48 26.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.536 ' O ' HG12 ' A' ' 84' ' ' VAL . 4.3 t-20 -44.32 -25.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.457 ' N ' ' C ' ' A' ' 80' ' ' ARG . 35.5 t0 -87.07 -63.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' LEU . 20.1 mt-30 -52.6 -41.62 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.9 p -36.84 -42.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -59.25 -56.42 22.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.958 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.9 mt -64.08 -32.54 74.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.833 ' CE ' HG21 ' A' ' 68' ' ' ILE . 57.2 mmm -88.01 40.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.459 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -76.27 157.67 82.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.436 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.05 132.96 15.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.34 28.05 56.47 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.63 153.79 46.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 123' ' ' ALA . 15.8 m -107.75 130.36 54.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.421 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.609 HG11 ' O ' ' A' ' 86' ' ' LEU . 35.0 m -145.83 156.49 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.799 HG13 HG23 ' A' ' 32' ' ' THR . 9.5 mt -112.5 153.38 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' A' ' 77' ' ' PHE . 3.1 mp -112.53 115.98 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 9.2 mtp180 -112.7 118.85 36.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 114' ' ' TRP . 1.0 OUTLIER 76.42 33.02 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -79.11 138.3 37.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -111.33 161.1 16.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 mm -112.23 121.3 64.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 107' ' ' MET . 0.5 OUTLIER -94.72 124.63 38.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -78.39 94.84 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 106' ' ' THR . 9.7 t80 -81.56 157.49 24.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -40.92 97.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.883 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.05 44.34 94.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.883 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -175.65 -179.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.356 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 0.9 OUTLIER -154.65 153.51 31.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 25.0 mtm105 -138.98 166.94 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.724 ' HB3' HD11 ' A' ' 75' ' ' ILE . 22.2 tp -96.69 137.92 35.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.69 163.92 30.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.496 HG13 ' C ' ' A' ' 115' ' ' GLY . 2.4 t -121.38 114.12 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.21 175.77 3.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -63.7 -20.58 65.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.425 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 10.6 m95 -95.33 20.98 8.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.017 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.496 ' C ' HG13 ' A' ' 111' ' ' VAL . . . -141.83 148.37 20.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -144.99 173.75 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.326 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 51.1 mt -94.82 157.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.658 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 16.2 tp10 -100.99 -47.12 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.958 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 82.44 47.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.469 HG22 ' CA ' ' A' ' 93' ' ' VAL . 1.7 t -48.55 171.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -60.53 -106.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.08 155.01 39.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.612 ' HB2' HG23 ' A' ' 92' ' ' THR . . . -79.9 142.23 35.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.12 8.91 21.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.603 ' CE2' ' OD1' ' A' ' 70' ' ' ASP . 5.3 p90 -124.54 158.78 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 87.1 m -99.67 108.65 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.588 HG13 ' SG ' ' A' ' 74' ' ' CYS . 49.8 t -56.25 128.48 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.442 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 7.1 tttp -90.67 95.62 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.576 ' OE2' HD13 ' A' ' 67' ' ' LEU . 3.7 mt-10 -77.65 53.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.82 -44.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.442 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 54.3 t30 -86.89 46.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.883 ' CB ' HD13 ' A' ' 135' ' ' LEU . 1.3 m120 -64.14 142.85 58.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.807 HD11 HG12 ' A' ' 19' ' ' VAL . 1.3 mt -108.74 4.42 23.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.715 ' C ' HD12 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -100.85 2.46 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.883 HD13 ' CB ' ' A' ' 132' ' ' ASN . 0.6 OUTLIER -108.72 -66.24 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.513 ' O ' HG22 ' A' ' 106' ' ' THR . 16.3 t -41.21 151.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.414 ' HA ' HG23 ' A' ' 106' ' ' THR . 54.7 mt-10 -115.52 126.83 54.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.495 ' CD2' ' HA ' ' A' ' 106' ' ' THR . 2.9 m-85 -105.17 125.83 51.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.92 141.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.07 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 85.48 167.99 44.11 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 158.82 41.73 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.471 1.774 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.02 167.9 9.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 36.2 p -160.18 124.65 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -177.08 139.86 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.51 149.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.56 156.34 8.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -170.41 167.43 8.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.06 161.57 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.92 144.77 17.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -176.2 166.41 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.9 t -165.18 166.91 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 9' ' ' THR . 64.4 t -156.96 71.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -73.87 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 65.02 82.1 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.74 154.21 65.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -166.76 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.3 t -77.52 -29.11 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.798 ' CE2' HG22 ' A' ' 30' ' ' THR . 4.5 m-85 -103.1 172.71 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.54 -170.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.575 ' C ' HD12 ' A' ' 31' ' ' LEU . 8.2 mttm -133.72 176.36 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.762 HG12 HD11 ' A' ' 133' ' ' LEU . 98.2 t -71.76 -45.94 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -6.63 30.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.93 10.11 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.7 mt -86.95 148.15 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.07 168.05 7.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HD3' ' CE2' ' A' ' 138' ' ' TYR . 18.2 Cg_endo -75.06 155.38 42.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.18 16.51 78.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 27' ' ' THR . 43.9 p -117.56 159.46 22.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 26' ' ' THR . 5.9 p -156.5 174.16 15.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.11 78.34 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 94.3 m-70 -105.58 157.8 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.593 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.798 HG22 ' CE2' ' A' ' 16' ' ' PHE . 15.9 m -139.5 107.51 5.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.575 HD12 ' C ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -153.92 164.18 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.735 HG23 HG13 ' A' ' 94' ' ' ILE . 34.8 m -99.84 114.85 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.0 m -110.04 131.44 61.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 5.4 tttt -103.73 121.87 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.571 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -66.0 146.87 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.483 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 1.9 mm -121.35 -51.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 8.9 mt-10 -139.65 158.7 43.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -145.61 109.82 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.674 ' C ' HG13 ' A' ' 64' ' ' VAL . 26.3 m-80 -138.92 147.2 42.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.0 pt -51.7 156.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' CD ' ' A' ' 65' ' ' GLU . 79.5 t -77.94 115.56 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' CG2' ' A' ' 45' ' ' THR . 18.2 m -86.27 154.29 57.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' THR . 18.3 Cg_endo -75.03 -172.68 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.9 t 66.29 -74.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.505 ' CG2' HG23 ' A' ' 42' ' ' VAL . 4.3 t -74.24 137.0 42.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.14 89.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' HD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER 50.83 -173.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.7 m -104.02 -44.9 4.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CB ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER 166.07 -53.76 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -75.0 111.85 3.42 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HB2' ' HD2' ' A' ' 47' ' ' LYS . . . -172.5 53.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.1 158.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 p 177.65 118.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 57.21 176.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -95.4 77.98 3.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 55' ' ' SER . 0.3 OUTLIER 162.71 106.24 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 58' ' ' SER . 18.5 Cg_endo -74.94 177.56 8.41 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.529 1.805 . . . . 0.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 57' ' ' PRO . 0.3 OUTLIER 81.58 -58.59 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.943 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -51.39 150.64 6.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.225 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.04 87.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.067 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 101.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mm -98.45 131.93 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.674 HG13 ' C ' ' A' ' 39' ' ' ASN . 89.5 t -133.18 139.38 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.727 ' CD ' HG22 ' A' ' 41' ' ' VAL . 35.1 mt-10 -92.81 121.64 34.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -116.74 142.71 46.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 67' ' ' LEU . 14.5 tp -88.12 121.88 31.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.876 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -135.87 153.51 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.684 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 173.32 -165.64 37.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.592 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 1.9 t70 -137.42 -179.72 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.12 -27.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.0 p -70.66 -75.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.44 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.66 -172.45 24.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.428 ' C ' ' CG2' ' A' ' 75' ' ' ILE . 15.7 p -135.98 171.96 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.602 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -150.0 163.23 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -85.5 100.81 12.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 78' ' ' THR . 2.2 t80 -105.17 149.08 26.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.606 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 16.3 m -108.12 132.91 53.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.699 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -120.56 136.1 54.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.4 mpp_? -76.41 170.65 15.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 84' ' ' VAL . 30.2 p30 -48.01 -23.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -87.32 -61.03 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.5 mt-30 -54.63 -44.79 73.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.4 p -37.8 -43.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.12 -54.09 50.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.868 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.6 mt -63.76 -43.64 95.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.876 ' CE ' HG21 ' A' ' 68' ' ' ILE . 55.0 mmm -76.5 54.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -84.0 151.0 59.75 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.97 132.7 15.76 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.515 1.798 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.59 24.75 52.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.63 170.71 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.587 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 85.0 m -124.12 130.71 53.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.854 HG12 ' HA ' ' A' ' 119' ' ' ALA . 17.5 m -141.29 159.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.735 HG13 HG23 ' A' ' 32' ' ' THR . 3.7 mt -115.16 154.01 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.819 HD22 HD21 ' A' ' 109' ' ' LEU . 2.3 mp -114.82 131.5 56.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -125.68 140.01 53.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m120 58.03 20.76 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 29' ' ' HIS . 85.9 p -68.26 141.85 55.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -118.91 153.88 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.1 mm -103.33 122.91 56.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.28 126.09 39.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -71.86 104.1 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' THR . 2.0 t80 -92.1 158.86 15.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.7 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.768 ' O ' HG23 ' A' ' 106' ' ' THR . . . 56.11 31.36 58.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.7 p -161.9 -174.82 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.497 ' C ' ' SD ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -149.08 173.22 13.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.0 mtm105 -155.39 163.68 39.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.819 HD21 HD22 ' A' ' 95' ' ' LEU . 25.1 tp -97.33 135.75 38.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.36 -179.27 26.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.475 HG13 ' C ' ' A' ' 115' ' ' GLY . 2.2 t -138.44 121.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.01 174.8 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.408 ' HG3' ' CD1' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -60.43 -23.32 64.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.408 ' CD1' ' HG3' ' A' ' 113' ' ' LYS . 40.9 m95 -95.27 22.04 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 108.011 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.475 ' C ' HG13 ' A' ' 111' ' ' VAL . . . -136.57 144.01 15.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -143.31 156.22 44.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.6 mt -77.53 156.72 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.643 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -98.84 -50.64 4.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.868 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 80.48 45.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.491 HG22 ' CA ' ' A' ' 93' ' ' VAL . 3.7 t -45.89 170.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -60.22 -100.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.48 163.61 22.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.587 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -91.05 123.82 34.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.0 m -92.8 0.97 57.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.058 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.592 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.9 p90 -117.64 163.86 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 95.1 m -106.4 112.49 25.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 34' ' ' LYS . 54.7 t -58.32 143.88 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -90.82 85.58 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.22 61.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -167.35 -42.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -82.46 49.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.988 ' HB3' HD21 ' A' ' 135' ' ' LEU . 54.7 t-20 -73.27 145.53 46.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.762 HD11 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -113.62 14.06 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.722 ' C ' HD13 ' A' ' 135' ' ' LEU . 0.8 OUTLIER -94.1 -2.12 53.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 109.991 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.988 HD21 ' HB3' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -116.57 -38.36 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 133' ' ' LEU . 9.8 p -53.44 140.77 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 105' ' ' GLY . 32.7 mt-10 -105.06 131.06 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.434 ' CE2' ' HD3' ' A' ' 24' ' ' PRO . 10.6 m-30 -91.93 41.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -139.94 151.55 45.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 72.2 m -56.16 120.22 7.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.966 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 143.0 124.22 1.86 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 172.98 15.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.047 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.6 t -179.26 130.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 35.4 t 40.27 90.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -170.24 124.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.1 151.06 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.36 -108.27 0.36 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t 61.63 87.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 109.982 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.94 165.69 4.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.58 152.15 7.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.93 139.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.6 m -113.43 149.76 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.87 47.71 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -70.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 61.2 97.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp 64.34 153.41 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.76 41.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 16' ' ' PHE . 53.4 t -109.86 -83.87 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.438 ' O ' ' O ' ' A' ' 15' ' ' VAL . 9.5 m-85 56.46 156.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.867 HG13 HD13 ' A' ' 31' ' ' LEU . 9.2 p -102.8 -179.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.771 ' H ' HG22 ' A' ' 17' ' ' VAL . 5.7 mmtt -123.32 167.43 13.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.81 HG12 HD11 ' A' ' 133' ' ' LEU . 97.1 t -67.13 -55.11 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' OE2' HG22 ' A' ' 72' ' ' THR . 10.8 pt-20 -59.46 -14.4 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -11.02 58.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.9 mt -70.91 150.04 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -159.94 170.17 9.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.5 Cg_endo -74.96 137.49 21.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.433 1.754 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.63 36.71 9.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 27' ' ' THR . 76.5 p -130.04 155.26 46.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' THR . 7.4 p -152.86 165.4 35.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.08 92.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.4 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 95.0 m-70 -122.35 161.03 24.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -141.29 110.35 6.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.867 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -156.57 170.39 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.62 HG23 HG13 ' A' ' 94' ' ' ILE . 10.8 m -105.72 109.37 21.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.26 137.73 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.36 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -111.06 118.01 34.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.606 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.7 t -65.84 145.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.855 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -121.21 -49.44 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -134.39 166.45 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -156.8 105.92 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.696 ' C ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -125.33 141.66 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.625 ' HA ' HG22 ' A' ' 64' ' ' VAL . 22.5 pt -51.85 158.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.836 HG21 HG22 ' A' ' 63' ' ' ILE . 30.6 t -77.7 98.53 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.442 HG13 HG13 ' A' ' 40' ' ' ILE . 30.5 m -109.52 157.8 36.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' O ' HG23 ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.04 175.59 11.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.809 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.637 ' O ' HG22 ' A' ' 44' ' ' VAL . 0.2 OUTLIER 40.58 84.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 43' ' ' PRO . 60.8 p -141.88 -87.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' CZ ' ' HG ' ' A' ' 76' ' ' LEU . 1.2 mtm180 -84.33 75.89 10.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.23 92.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 t -175.89 64.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.423 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' CB ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -52.86 -53.51 53.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.586 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.01 -66.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 50' ' ' PRO . . . 76.87 89.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -44.21 99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.71 131.89 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.84 154.14 33.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 m 61.86 171.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -48.23 149.67 2.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.37 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 m -105.73 97.53 7.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -87.7 150.52 48.5 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 61' ' ' SER . 18.4 Cg_endo -74.99 84.06 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 60' ' ' PRO . 1.5 m 162.19 86.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.53 111.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.836 HG22 HG21 ' A' ' 41' ' ' VAL . 2.5 mm -112.25 127.48 69.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.696 HG13 ' C ' ' A' ' 39' ' ' ASN . 81.2 t -134.54 138.0 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.451 ' CD ' HG22 ' A' ' 41' ' ' VAL . 4.0 mt-10 -87.64 133.8 33.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -131.19 147.83 52.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 108.337 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD21 ' CB ' ' A' ' 74' ' ' CYS . 5.4 tt -94.82 114.08 25.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.937 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -131.79 152.56 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.488 ' CA ' HG21 ' A' ' 19' ' ' VAL . . . 170.19 -156.39 26.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.532 ' OD2' ' CE2' ' A' ' 125' ' ' PHE . 3.5 t70 -136.48 -179.25 5.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 72' ' ' THR . 5.9 pt-20 -48.53 -30.76 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.432 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 17.5 p -62.33 -72.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.19 -172.63 22.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.592 ' CB ' HD21 ' A' ' 67' ' ' LEU . 1.1 p -137.56 155.7 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.719 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -134.11 163.37 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.872 ' C ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -93.67 99.85 12.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.633 ' CE2' HD21 ' A' ' 95' ' ' LEU . 16.1 t80 -103.13 150.38 23.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.599 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 24.9 m -106.2 131.84 52.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.782 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -120.9 133.96 55.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -73.17 170.86 14.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -48.51 -23.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 8.6 m-20 -89.93 -58.98 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -54.23 -41.95 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 85' ' ' ASP . 1.7 p -38.36 -47.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.462 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.9 OUTLIER -53.92 -53.96 45.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.904 HD22 ' HB2' ' A' ' 119' ' ' ALA . 2.8 mt -63.7 -38.21 90.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.937 ' CE ' HG21 ' A' ' 68' ' ' ILE . 65.1 mmm -86.03 42.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.453 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -77.38 157.47 80.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.56 15.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.43 24.53 53.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -129.94 148.82 51.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.556 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 36.8 m -109.82 129.82 55.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.868 HG12 ' HA ' ' A' ' 119' ' ' ALA . 34.4 m -140.4 153.23 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.62 HG13 HG23 ' A' ' 32' ' ' THR . 57.6 mt -105.49 153.76 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.863 HD22 HD21 ' A' ' 109' ' ' LEU . 1.9 mp -118.82 116.0 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.44 133.24 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 t30 63.32 27.38 15.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.613 ' HB2' HD11 ' A' ' 109' ' ' LEU . 46.9 p -73.92 127.45 32.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.967 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.52 160.28 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 109' ' ' LEU . 13.9 mm -108.67 124.79 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.13 125.97 40.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' A' ' 24' ' ' PRO . 7.6 tpt -73.16 105.14 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 105' ' ' GLY . 4.8 t80 -93.5 159.42 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.24 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.785 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.22 36.03 56.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 105' ' ' GLY . 1.1 p -162.26 179.91 7.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.575 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.3 ptt? -151.22 154.23 36.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.414 ' HG3' ' C ' ' A' ' 107' ' ' MET . 37.0 mtt85 -142.18 166.33 25.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.863 HD21 HD22 ' A' ' 95' ' ' LEU . 66.6 tp -95.65 136.87 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.47 173.37 30.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.538 HG13 ' HA3' ' A' ' 115' ' ' GLY . 62.8 t -133.92 129.22 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -81.45 176.22 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -23.78 66.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -90.69 13.21 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 108.027 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.538 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -132.04 144.66 16.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -142.14 158.22 43.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.8 mt -77.18 156.66 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 17.6 tt0 -96.81 -61.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.904 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 85.07 42.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.5 OUTLIER -35.62 -59.46 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.594 ' H ' HG23 ' A' ' 120' ' ' THR . . . 147.48 -76.09 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.46 ' CA ' ' HB ' ' A' ' 92' ' ' THR . . . -134.49 164.9 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.556 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -111.82 162.61 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -117.53 7.28 12.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.532 ' CE2' ' OD2' ' A' ' 70' ' ' ASP . 5.2 p90 -122.92 159.21 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 64.6 m -102.13 113.53 26.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.855 HG21 HD11 ' A' ' 36' ' ' ILE . 55.2 t -54.14 142.17 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.42 ' CE ' ' HB2' ' A' ' 131' ' ' ASN . 8.7 ttpt -104.25 97.76 7.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.55 -1.83 23.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.74 -23.52 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.42 ' HB2' ' CE ' ' A' ' 128' ' ' LYS . 55.9 t30 -121.17 82.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.412 ' C ' HD23 ' A' ' 133' ' ' LEU . 5.7 t-20 -96.6 133.08 41.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.81 HD11 HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -93.81 -3.7 51.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 76' ' ' LEU . 13.1 p -81.48 -9.83 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.056 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.69 -31.15 6.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.749 ' O ' HG22 ' A' ' 106' ' ' THR . 3.6 t -46.36 164.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.507 ' N ' ' CG1' ' A' ' 136' ' ' VAL . 54.9 mt-10 -145.81 127.92 15.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.575 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 23.0 m-30 -107.15 43.31 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.01 97.8 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.65 104.09 15.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -106.68 124.17 7.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 59.67 5.24 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t 41.06 87.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 7.8 p -129.69 140.08 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.3 130.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -169.41 126.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.64 131.89 2.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.89 132.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.32 125.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.37 132.83 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 t -168.96 162.68 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m 60.83 113.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 10' ' ' VAL . 14.7 p -163.31 58.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -103.32 162.88 12.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -155.18 100.24 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -171.59 159.41 4.85 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -165.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -95.67 -148.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 15' ' ' VAL . 28.6 m-85 53.53 168.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -112.58 -171.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 5.6 mttm -134.24 170.31 15.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.772 HG12 HD11 ' A' ' 133' ' ' LEU . 82.3 t -66.45 -44.1 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.21 -8.26 37.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 1.03 54.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -82.86 153.55 25.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -166.47 170.63 5.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.581 ' HG3' ' CD2' ' A' ' 138' ' ' TYR . 18.2 Cg_endo -75.02 133.06 16.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.78 41.87 5.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 29' ' ' HIS . 70.8 p -136.71 151.24 49.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -146.92 171.38 15.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.09 93.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 26' ' ' THR . 92.6 m-70 -122.14 155.22 36.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 0.737 . . . . 0.0 109.583 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 3.2 m -134.52 112.13 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -160.68 161.52 32.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.723 HG23 HG21 ' A' ' 120' ' ' THR . 31.9 m -98.48 108.78 21.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -101.68 137.85 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -109.79 122.42 47.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.598 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.4 t -68.58 146.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 127' ' ' VAL . 2.0 mm -121.42 -50.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 3.4 mt-10 -133.77 160.48 37.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -154.71 106.24 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.712 ' C ' HG13 ' A' ' 64' ' ' VAL . 19.8 m-80 -138.98 151.08 46.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 pt -51.97 156.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 41' ' ' VAL . 15.0 m -77.97 86.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG23 ' OG1' ' A' ' 45' ' ' THR . 0.8 OUTLIER -47.83 157.83 0.58 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.04 152.29 40.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.798 ' O ' HG23 ' A' ' 45' ' ' THR . 16.0 m 37.99 73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -163.65 87.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttm105 57.5 69.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.41 153.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 48' ' ' THR . 7.8 t -157.5 64.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.54 140.61 0.27 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -172.46 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.36 -173.36 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.73 170.27 12.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.03 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -164.89 136.2 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.88 158.24 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m 73.35 126.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.18 95.05 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 61.32 5.66 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 p -124.02 90.8 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 64.43 153.62 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 62' ' ' ARG . 18.2 Cg_endo -75.0 162.76 36.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.21 77.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -47.37 103.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mm -104.82 130.71 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.712 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.1 t -138.65 138.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.729 ' HB3' HD11 ' A' ' 76' ' ' LEU . 81.9 mt-10 -89.11 134.94 33.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -133.52 144.58 49.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.559 HD21 ' SG ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -92.29 118.58 31.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.931 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -133.73 153.53 36.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.54 ' O ' HG22 ' A' ' 127' ' ' VAL . . . 165.47 -166.11 38.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.466 ' OD1' ' CG ' ' A' ' 125' ' ' PHE . 17.0 t0 -125.81 -179.61 4.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -46.07 -35.39 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 23.8 p -56.86 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.17 -173.15 18.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.093 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.559 ' SG ' HD21 ' A' ' 67' ' ' LEU . 1.6 p -138.13 171.86 13.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.652 ' CG2' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -152.38 162.82 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -89.9 101.64 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.666 ' CE2' HD21 ' A' ' 95' ' ' LEU . 1.7 t80 -104.86 139.1 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 77' ' ' PHE . 36.7 m -94.75 130.73 41.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -118.42 134.86 54.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -73.66 172.37 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -52.66 -20.2 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -93.0 -55.02 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.96 -43.13 91.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLN . 4.1 p -38.24 -38.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.08 -56.43 16.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.842 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.8 mt -63.78 -24.8 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.931 ' CE ' HG21 ' A' ' 68' ' ' ILE . 55.9 mmm -96.01 38.3 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.69 155.72 88.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.446 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.04 132.28 15.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.09 21.43 59.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -123.87 152.37 42.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.574 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 62.1 m -110.56 127.79 55.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.883 HG12 ' HA ' ' A' ' 119' ' ' ALA . 29.1 m -140.98 156.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.682 HG13 HG23 ' A' ' 32' ' ' THR . 8.6 mt -111.3 157.34 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.666 HD21 ' CE2' ' A' ' 77' ' ' PHE . 1.8 mp -118.63 120.14 36.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 9.0 mtp180 -112.43 120.81 42.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.8 t30 74.94 20.21 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.8 p -66.1 122.12 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -102.88 143.02 33.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.6 mm -87.11 130.12 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.14 125.71 39.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.5 tpt -78.07 98.86 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 106' ' ' THR . 3.7 t80 -88.88 160.21 17.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.85 96.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.614 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.77 33.29 55.61 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.739 HG23 ' HG2' ' A' ' 137' ' ' GLU . 0.6 OUTLIER -158.4 179.96 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.395 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.0 165.37 31.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -154.53 166.06 34.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.621 HD21 HD22 ' A' ' 95' ' ' LEU . 38.1 tp -96.69 137.28 36.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' A' ' 77' ' ' PHE . . . -155.94 -179.2 30.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 115' ' ' GLY . 32.9 t -136.44 133.18 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.06 175.67 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -23.51 65.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -94.34 26.65 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.024 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.424 ' O ' ' CG1' ' A' ' 111' ' ' VAL . . . -148.82 141.6 9.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.52 158.2 44.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.1 mt -77.79 156.7 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.5 tp10 -97.61 -54.21 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.343 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.883 ' HA ' HG12 ' A' ' 93' ' ' VAL . . . 84.01 39.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.723 HG21 HG23 ' A' ' 32' ' ' THR . 9.5 t -43.47 166.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.429 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -54.46 -106.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.12 171.27 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.574 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -98.04 127.37 43.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.38 8.61 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.466 ' CG ' ' OD1' ' A' ' 70' ' ' ASP . 7.2 p90 -129.4 167.0 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 94.3 m -113.81 114.99 27.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.657 HG21 HD11 ' A' ' 36' ' ' ILE . 75.4 t -55.04 145.6 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.482 ' HD2' ' CB ' ' A' ' 131' ' ' ASN . 8.9 ttmm -101.3 92.14 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.96 57.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -150.89 -46.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.482 ' CB ' ' HD2' ' A' ' 128' ' ' LYS . 51.6 t30 -86.31 57.1 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.971 ' HB3' HD21 ' A' ' 135' ' ' LEU . 52.7 t-20 -79.52 145.04 33.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.772 HD11 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -115.66 13.6 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.67 ' C ' HD13 ' A' ' 135' ' ' LEU . 1.0 OUTLIER -93.26 -4.23 52.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -113.36 -27.31 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.654 ' O ' HG22 ' A' ' 106' ' ' THR . 11.6 p -61.94 149.05 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.739 ' HG2' HG23 ' A' ' 106' ' ' THR . 43.2 mt-10 -124.02 128.88 50.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 24' ' ' PRO . 15.1 m-85 -94.96 155.81 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -111.39 157.08 20.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 m -172.1 93.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.97 144.75 7.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 68.49 5.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.0 t -154.58 -53.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.958 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 68.2 m 58.18 107.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -178.89 159.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.795 . . . . 0.0 109.956 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.41 154.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.55 140.88 5.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.123 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 p 178.24 121.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.03 159.88 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.68 154.73 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.148 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.69 92.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 t -171.2 158.61 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 10' ' ' VAL . 2.7 p -157.2 49.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -99.27 150.28 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 88.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 pttt -174.29 153.19 1.89 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -167.73 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.41 -29.58 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -109.19 164.77 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.751 HG13 HD13 ' A' ' 31' ' ' LEU . 11.5 p -95.97 174.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.634 ' H ' HG22 ' A' ' 17' ' ' VAL . 3.7 mmtp -118.88 169.8 9.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.756 HG12 ' CD1' ' A' ' 133' ' ' LEU . 98.5 t -70.58 -45.55 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.49 -10.31 33.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -88.09 -11.88 45.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 100' ' ' ILE . 49.0 mt -66.66 154.11 41.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -167.31 165.44 8.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 135.21 18.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.47 8.41 57.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.428 ' C ' HG23 ' A' ' 27' ' ' THR . 58.9 p -104.34 159.47 15.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.78 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 26' ' ' THR . 20.3 p -154.42 171.59 19.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.49 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.64 92.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -120.39 158.35 27.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 109.615 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 50.9 m -137.88 105.47 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.751 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -152.08 169.09 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.856 HG23 HG13 ' A' ' 94' ' ' ILE . 20.5 m -105.79 109.04 20.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.0 m -101.99 135.8 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -108.1 119.72 40.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.529 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.6 t -64.24 143.5 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.569 HD11 HG21 ' A' ' 127' ' ' VAL . 2.2 mm -119.48 -50.23 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -137.03 155.64 49.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.244 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB3' ' HG3' ' A' ' 89' ' ' PRO . . . -146.84 107.07 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.72 ' O ' HG13 ' A' ' 64' ' ' VAL . 14.0 m-80 -137.91 148.76 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.416 HG22 HG22 ' A' ' 64' ' ' VAL . 25.4 pt -61.28 146.18 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -138.19 117.11 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.48 154.52 62.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' O ' HG23 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.91 107.84 2.57 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.833 HG12 HG22 ' A' ' 45' ' ' THR . 5.4 t -153.13 -80.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.833 HG22 HG12 ' A' ' 44' ' ' VAL . 7.5 t -157.54 99.35 1.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.674 ' HD2' HD12 ' A' ' 76' ' ' LEU . 17.3 ttp85 -40.97 -53.94 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 92.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -108.17 108.48 19.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 2.3 mtp180 -68.58 -52.95 17.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.0 Cg_endo -75.07 -168.31 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.44 178.17 8.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.48 167.38 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 p -117.6 -59.4 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mp 61.2 161.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.81 -69.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -170.57 144.26 1.94 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 125.64 9.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.36 -169.65 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 60.93 156.03 0.11 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 110.347 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ARG . 18.3 Cg_endo -75.03 -172.21 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 m 68.57 -62.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' PRO . 4.2 mmt85 61.58 105.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.771 HG23 HG23 ' A' ' 78' ' ' THR . 4.2 mm -115.81 131.05 69.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 39' ' ' ASN . 74.5 t -130.78 138.58 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -97.15 97.56 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.96 148.21 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 27.5 tp -95.37 120.41 35.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.866 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -135.57 153.0 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.415 ' HA2' HG21 ' A' ' 19' ' ' VAL . . . 167.95 -163.04 36.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.501 ' OD1' HG23 ' A' ' 19' ' ' VAL . 3.7 p-10 -137.49 -178.65 5.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 70' ' ' ASP . 4.2 pt-20 -38.07 -57.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.48 ' HG1' ' CG ' ' A' ' 70' ' ' ASP . 34.9 p -40.28 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.64 -172.33 19.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.406 ' CA ' HG11 ' A' ' 19' ' ' VAL . 2.5 p -139.72 167.29 22.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.762 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -148.57 163.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.674 HD12 ' HD2' ' A' ' 46' ' ' ARG . 11.7 mt -86.39 122.06 29.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CE2' HD21 ' A' ' 95' ' ' LEU . 2.0 t80 -125.23 132.99 52.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.771 HG23 HG23 ' A' ' 63' ' ' ILE . 70.8 m -86.74 129.62 34.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.65 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -116.31 132.14 56.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 82' ' ' ASP . 5.6 mtm180 -72.88 166.12 23.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.507 ' O ' HG12 ' A' ' 84' ' ' VAL . 1.9 p-10 -47.63 -22.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 80' ' ' ARG . 8.3 m-20 -88.87 -61.92 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 84' ' ' VAL . 30.7 mt-30 -53.86 -39.71 65.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 81' ' ' ASN . 3.0 p -39.15 -43.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -54.99 38.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.942 HD22 ' HB2' ' A' ' 119' ' ' ALA . 1.9 mt -63.98 -39.1 93.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.866 ' CE ' HG21 ' A' ' 68' ' ' ILE . 52.7 mmm -82.5 50.09 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -85.04 154.07 60.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.544 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 125.09 9.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.01 32.04 11.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.04 155.85 49.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.7 m -110.1 128.45 55.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 119' ' ' ALA . 27.3 m -139.55 152.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.856 HG13 HG23 ' A' ' 32' ' ' THR . 11.0 mt -108.39 155.34 9.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.583 HD22 ' CD2' ' A' ' 109' ' ' LEU . 1.8 mp -119.26 130.1 55.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.2 128.14 48.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.0 18.9 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 p -65.52 128.96 38.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 137.38 44.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.472 HD11 HD13 ' A' ' 22' ' ' LEU . 22.4 mm -85.89 126.36 40.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 107' ' ' MET . 2.9 m-20 -94.99 124.65 39.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -79.14 101.05 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 106' ' ' THR . 7.9 t80 -88.75 157.46 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -41.4 97.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.885 ' O ' HG23 ' A' ' 106' ' ' THR . . . 58.3 42.88 95.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -174.84 -177.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.425 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.547 ' HG2' ' CE2' ' A' ' 138' ' ' TYR . 1.2 ptt? -151.38 167.52 27.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.95 165.1 37.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' A' ' 75' ' ' ILE . 21.1 tp -97.21 135.57 38.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.0 164.73 30.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.48 HG13 ' HA3' ' A' ' 115' ' ' GLY . 2.3 t -126.13 121.32 59.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.4 176.13 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -22.6 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -94.95 27.33 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.017 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.48 ' HA3' HG13 ' A' ' 111' ' ' VAL . . . -145.98 138.28 7.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.91 152.89 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.794 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.0 mt -78.47 156.1 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.672 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.6 tt0 -98.45 -55.48 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.942 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 83.74 48.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.513 HG21 HG23 ' A' ' 32' ' ' THR . 1.9 t -50.62 173.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 120' ' ' THR . . . -62.31 -98.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -126.46 166.64 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.06 130.58 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.42 2.63 50.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' A' ' 70' ' ' ASP . 5.4 p90 -120.64 161.11 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 73.2 m -103.2 108.51 19.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.569 HG21 HD11 ' A' ' 36' ' ' ILE . 48.3 t -55.54 147.98 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 131' ' ' ASN . 7.0 ttpp -108.43 97.1 6.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.04 54.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -145.81 -46.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 128' ' ' LYS . 49.4 t30 -84.31 49.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.486 ' HB2' ' CD1' ' A' ' 135' ' ' LEU . 6.8 m-20 -65.55 137.29 57.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.756 ' CD1' HG12 ' A' ' 19' ' ' VAL . 5.5 mt -97.22 -11.02 24.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -87.22 5.08 39.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 132' ' ' ASN . 18.5 mt -111.3 -65.88 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 106' ' ' THR . 12.3 p -43.89 151.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -117.2 134.56 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.547 ' CE2' ' HG2' ' A' ' 107' ' ' MET . 17.9 m-30 -96.01 131.56 42.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.56 136.0 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.68 81.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.02 153.42 23.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 71.23 5.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.426 1.751 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.08 105.06 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 31.6 t 40.78 82.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -167.69 143.85 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.84 167.26 31.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.96 -170.06 36.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -167.42 163.63 14.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m 63.97 143.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.85 124.14 5.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -109.7 -92.27 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.415 ' O ' HG13 ' A' ' 10' ' ' VAL . 88.2 m 52.04 94.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 9' ' ' THR . 1.7 m -151.66 -47.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.52 -173.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -144.82 28.12 1.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -101.29 155.97 35.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -166.39 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.0 t -72.44 -31.55 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -110.75 157.41 19.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.9 HG13 HD13 ' A' ' 31' ' ' LEU . 12.8 p -88.72 173.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.601 ' H ' HG22 ' A' ' 17' ' ' VAL . 7.5 mmtp -123.62 167.81 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.733 HG12 HD11 ' A' ' 133' ' ' LEU . 96.2 t -67.59 -46.51 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -10.18 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -6.31 54.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.4 mt -73.14 151.54 41.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -166.18 170.56 5.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 138' ' ' TYR . 18.3 Cg_endo -74.94 135.93 19.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 31.75 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 27' ' ' THR . 80.9 p -126.18 155.45 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 110.433 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 26' ' ' THR . 2.6 p -152.26 171.97 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 38.31 92.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -117.71 155.01 30.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.591 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.1 m -135.53 104.14 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.9 HD13 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -153.13 167.72 28.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.801 HG23 HG13 ' A' ' 94' ' ' ILE . 5.4 m -101.68 108.54 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.0 m -101.23 130.89 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD3' ' CD1' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -107.37 118.82 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.592 ' HA ' HG22 ' A' ' 68' ' ' ILE . 2.7 t -66.21 145.64 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.807 HD11 HG21 ' A' ' 127' ' ' VAL . 2.1 mm -120.5 -49.24 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 4.8 mt-10 -136.55 157.31 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.93 110.43 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.693 ' C ' HG13 ' A' ' 64' ' ' VAL . 20.7 m-80 -139.16 150.55 45.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.1 pt -52.66 155.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.77 HG12 ' CD ' ' A' ' 65' ' ' GLU . 34.6 m -78.24 95.07 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -57.7 157.51 14.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' C ' ' CG1' ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.96 158.48 42.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.553 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.1 p 40.66 81.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 46' ' ' ARG . 7.7 t -160.13 -53.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.577 ' HD2' HD13 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -141.65 -47.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.43 160.38 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 m -133.63 112.6 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -63.99 -51.81 60.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 49' ' ' ARG . 18.2 Cg_endo -75.06 56.19 4.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.28 -68.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.4 m -39.55 123.09 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 t -157.95 169.44 24.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 mp 61.54 161.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.83 -57.63 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -62.92 150.85 86.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 65.94 6.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 m -94.8 168.52 10.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -39.16 155.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.606 1.191 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.14 33.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.43 87.62 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.972 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.32 111.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.584 HD12 ' CG2' ' A' ' 78' ' ' THR . 2.2 mm -113.34 131.77 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.693 HG13 ' C ' ' A' ' 39' ' ' ASN . 74.8 t -137.43 137.49 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.77 ' CD ' HG12 ' A' ' 41' ' ' VAL . 37.7 mt-10 -89.67 130.92 35.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' GLU . 3.2 m -127.73 146.02 50.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.545 HD21 ' SG ' ' A' ' 74' ' ' CYS . 2.1 tt -90.69 116.5 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.857 HG21 ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -133.53 154.17 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.501 ' CA ' HG21 ' A' ' 19' ' ' VAL . . . 169.98 -157.13 28.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -134.43 -179.25 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.245 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 15.8 pt-20 -50.74 -21.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.455 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 5.6 p -72.44 -77.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.389 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 131' ' ' ASN . . . -146.21 -172.46 16.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.545 ' SG ' HD21 ' A' ' 67' ' ' LEU . 28.0 p -135.72 169.67 17.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.925 HD11 ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -155.89 163.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.577 HD13 ' HD2' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -87.3 119.25 27.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' A' ' 95' ' ' LEU . 7.2 t80 -126.12 121.81 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.584 ' CG2' HD12 ' A' ' 63' ' ' ILE . 75.6 m -77.01 133.79 39.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB2' ' HG3' ' A' ' 87' ' ' MET . . . -119.7 131.07 55.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.452 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -71.97 163.65 27.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.538 ' O ' HG12 ' A' ' 84' ' ' VAL . 9.2 p-10 -44.87 -24.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -87.19 -62.6 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' MET . 26.9 mt-30 -53.45 -38.73 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 81' ' ' ASN . 2.8 p -37.55 -42.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -55.22 29.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.042 HD22 ' HB2' ' A' ' 119' ' ' ALA . 6.5 mt -63.68 -22.27 66.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.857 ' CE ' HG21 ' A' ' 68' ' ' ILE . 53.7 mmm -100.04 33.57 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -71.15 158.03 88.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.68 15.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.549 1.815 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.52 21.56 61.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -122.99 143.29 50.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 0.72 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.617 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 36.0 m -104.33 129.58 52.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.663 HG11 ' O ' ' A' ' 86' ' ' LEU . 23.2 m -143.91 149.22 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.801 HG13 HG23 ' A' ' 32' ' ' THR . 40.2 mt -99.42 153.23 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.584 ' CD2' ' CD2' ' A' ' 109' ' ' LEU . 2.4 mp -116.24 117.32 29.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.448 ' NH1' ' OE2' ' A' ' 118' ' ' GLU . 16.3 mtp180 -108.54 139.48 43.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 t30 55.97 23.91 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.0 p -68.42 122.22 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -103.54 142.36 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.8 mm -87.64 128.65 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.82 125.97 39.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.2 tpt -78.92 107.79 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 104' ' ' LYS . 11.1 t80 -98.58 159.08 15.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.556 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -40.28 97.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.857 ' O ' HG23 ' A' ' 106' ' ' THR . . . 54.71 39.07 65.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 105' ' ' GLY . 0.7 OUTLIER -165.91 178.21 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.753 . . . . 0.0 110.432 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.43 158.09 43.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -146.38 162.83 37.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.925 ' HB3' HD11 ' A' ' 75' ' ' ILE . 31.4 tp -96.5 137.64 35.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -155.79 170.86 33.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 t -130.94 118.53 42.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.66 175.26 8.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.587 ' HE3' ' CZ2' ' A' ' 114' ' ' TRP . 4.9 pttt -62.51 -15.92 52.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.587 ' CZ2' ' HE3' ' A' ' 113' ' ' LYS . 1.5 m95 -93.34 17.76 10.76 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.3 153.49 25.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 156.5 44.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.4 mt -77.39 156.39 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.725 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 1.3 tp10 -96.21 -63.64 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.042 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . 88.27 42.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.639 HG23 ' H ' ' A' ' 121' ' ' GLY . 0.6 OUTLIER -37.59 -61.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.639 ' H ' HG23 ' A' ' 120' ' ' THR . . . 111.71 108.21 2.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.43 ' N ' ' HB ' ' A' ' 92' ' ' THR . . . 61.52 143.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.617 ' HB2' ' CG2' ' A' ' 92' ' ' THR . . . -109.42 156.66 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -106.79 18.87 21.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -142.12 166.46 24.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.5 m -109.86 115.33 29.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.807 HG21 HD11 ' A' ' 36' ' ' ILE . 48.9 t -54.54 131.02 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 8.0 ttpt -79.94 86.12 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 63.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -160.15 -44.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.467 ' O ' ' CA ' ' A' ' 73' ' ' GLY . 42.3 t30 -91.21 70.21 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.938 ' HB3' HD21 ' A' ' 135' ' ' LEU . 40.5 t-20 -87.45 149.17 24.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.733 HD11 HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -116.92 6.91 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.708 ' C ' HD13 ' A' ' 135' ' ' LEU . 96.4 p -85.84 -1.72 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.938 HD21 ' HB3' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -118.23 -37.36 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.62 ' O ' HG22 ' A' ' 106' ' ' THR . 11.7 p -47.14 148.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.657 ' HG2' HG23 ' A' ' 106' ' ' THR . 43.4 mt-10 -127.33 126.28 42.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.537 ' CE2' ' HD3' ' A' ' 24' ' ' PRO . 11.7 m-85 -93.11 166.05 12.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -76.54 118.94 19.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.112 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 26.6 p -134.8 120.53 19.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 115.76 160.78 12.6 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -41.65 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.24 -57.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.952 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.56 165.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.973 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.969 . . . . . . . . 0 0 . 1 stop_ save_