data_1wlo_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 1wlo _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 ' 2' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 17.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.02 174.55 12.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -75.04 -53.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' PRO . 2.7 mmmt -38.3 -38.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -84.71 -61.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -41.14 -33.75 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -49.56 60.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.44 -49.25 77.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 71.6 mt -62.28 -60.28 3.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -47.58 -46.6 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LEU . 43.7 tp -62.58 -36.58 83.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.41 -60.74 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -56.62 -18.16 11.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -91.14 -38.35 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 12' ' ' LEU . 19.7 mt -66.3 156.08 86.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.0 134.05 17.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 17' ' ' PRO . 38.7 tttt -34.78 -68.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.1 pt-20 -35.41 -48.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 13.6 mt -69.63 -48.99 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 18' ' ' LYS . 9.6 mtt85 -39.99 -39.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 t -63.44 -52.07 63.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.63 -27.81 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.8 t -68.99 -54.32 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 110' ' ' PHE . 13.9 mt -51.78 -33.71 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.71 -61.14 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.73 -51.93 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -42.25 -57.73 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.2 61.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -23.91 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' CZ ' ' A' ' 83' ' ' ARG . 0.8 OUTLIER -100.03 41.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -125.89 97.06 36.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.51 42.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.12 42.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 165.05 32.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.424 ' O ' HG11 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.96 159.53 41.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.39 4.57 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.99 -57.07 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.424 HG11 ' O ' ' A' ' 36' ' ' PRO . 7.3 p -39.9 142.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -108.33 127.31 53.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.1 143.83 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -101.02 130.11 46.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.41 146.48 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.468 HG21 ' CD ' ' A' ' 125' ' ' ARG . 89.1 t -103.57 91.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -48.43 71.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.662 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.11 -41.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.2 t -87.11 144.92 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -60.57 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -62.35 155.49 66.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.01 74.46 4.0 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -87.93 119.1 27.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 10.6 m-85 -108.67 132.88 53.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 m -133.64 161.69 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.449 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 80.9 t60 -159.4 112.95 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 126' ' ' LEU . . . -102.12 140.02 36.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' ARG . 30.1 m-20 -165.04 170.45 15.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -135.34 124.43 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.34 114.5 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.58 -79.73 1.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.04 26.22 0.36 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -141.87 155.69 45.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.517 ' CG2' ' C ' ' A' ' 90' ' ' SER . 22.4 t -84.02 153.48 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 3.0 mmt-85 -130.77 102.13 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 8.4 mt -86.08 142.07 28.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 75.0 m-85 -143.56 120.01 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.57 153.35 40.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -142.11 112.38 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.627 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.94 117.41 48.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.416 ' CG ' ' HG2' ' A' ' 50' ' ' PRO . 18.1 Cg_endo -75.04 -52.8 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -77.91 0.7 23.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 5.0 pt-20 46.83 38.06 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -52.99 139.33 43.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -74.99 -36.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.811 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.5 p -78.28 -27.2 47.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 72' ' ' ALA . 37.2 t -80.33 -47.21 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 8.8 tttt -68.51 -43.7 76.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 73' ' ' PRO . . . -40.07 -67.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.584 ' CD2' ' HG ' ' A' ' 119' ' ' LEU . 43.4 t80 -53.72 -58.31 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.72 -36.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -76.08 -47.35 11.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.19 -32.45 64.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 78' ' ' PHE . 56.0 mt -63.66 -53.44 51.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.459 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -71.7 -30.46 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.433 ' CD ' ' C ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -53.26 -33.62 53.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 6' ' ' LEU . . . -127.51 40.52 1.74 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 76.7 mt -154.48 -44.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.91 108.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.245 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.66 -20.17 39.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 73.1 mm-40 -62.65 -179.03 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.517 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 1.5 m -89.29 160.71 41.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -11.53 21.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.73 -35.68 12.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.1 -36.17 64.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.6 t -69.16 -22.42 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' A' ' 127' ' ' GLN . 8.5 mt -88.58 -34.69 17.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.05 -10.78 32.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.458 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 48.5 t -75.57 127.75 85.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.79 32.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.463 1.77 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.45 11.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.99 57.08 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 6' ' ' LEU . 28.5 p90 -87.7 3.45 47.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.455 ' OH ' ' CG ' ' A' ' 120' ' ' GLU . 2.5 p90 -109.23 9.24 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -85.53 -37.25 19.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . -81.18 49.98 4.1 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 65.5 m-85 -165.12 -109.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -168.15 45.18 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.495 ' CD1' ' CD2' ' A' ' 10' ' ' LEU . 1.9 mt -101.33 -45.25 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.488 ' HA ' ' CD1' ' A' ' 116' ' ' LEU . 2.1 tt0 -50.81 -43.36 58.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -3.84 20.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.57 ' CD1' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -102.41 -42.48 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.495 ' O ' ' CB ' ' A' ' 115' ' ' ARG . 37.4 m-85 -104.36 16.62 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.443 ' O ' ' O ' ' A' ' 111' ' ' PHE . 4.7 p 54.28 164.87 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.419 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.13 20.79 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -86.19 -68.01 0.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.5 ttm180 -42.43 -31.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.488 ' CD1' ' HA ' ' A' ' 108' ' ' GLU . 25.8 mt -62.09 -47.58 83.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 116' ' ' LEU . 25.9 mtt180 -35.54 -49.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -71.57 -55.03 7.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -48.95 -42.54 37.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.455 ' CG ' ' OH ' ' A' ' 102' ' ' TYR . 22.5 mt-10 -57.63 -60.04 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -38.73 -33.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 120' ' ' GLU . . . -54.62 -57.1 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 120' ' ' GLU . 16.3 tp -60.05 -61.99 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.7 mt -41.03 -53.03 3.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.468 ' CD ' HG21 ' A' ' 44' ' ' VAL . 30.3 mtt85 -55.36 -64.52 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 55' ' ' ALA . 5.7 mt -45.15 -51.98 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 7.4 mt-30 -51.54 -30.31 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -80.03 -24.17 40.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.487 ' HA ' ' CD ' ' A' ' 132' ' ' LYS . 7.5 mt-30 -85.29 -18.27 34.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 133' ' ' ALA . 26.5 t -77.89 -51.2 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 130' ' ' VAL . 13.2 mtp85 -35.39 -38.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.487 ' CD ' ' HA ' ' A' ' 129' ' ' GLN . 0.1 OUTLIER -65.49 -53.99 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.231 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.588 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -43.8 -47.66 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.236 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.452 ' CD1' HG13 ' A' ' 130' ' ' VAL . 8.3 mp -44.58 -45.03 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.9 t -125.0 43.19 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 132' ' ' LYS . 44.3 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 21.9 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 174.48 12.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.441 1.758 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.94 -58.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -38.06 -31.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -86.26 -68.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -41.5 -31.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -65.77 -50.98 62.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.2 -51.23 70.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 92.9 mt -59.13 -54.61 45.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -53.24 -44.13 67.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' LEU . 33.4 tp -67.56 -36.81 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 21' ' ' ARG . 13.7 t80 -56.45 -63.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.2 ttpt -57.19 -23.32 46.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -84.88 -24.0 28.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 12' ' ' LEU . 19.7 mt -75.39 161.75 75.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.4 Cg_endo -75.0 140.18 25.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.464 1.77 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' GLU . 5.9 tttm -36.29 -68.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.6 tp10 -33.37 -48.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLN . 9.6 mp -72.42 -48.83 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.485 ' HB3' ' CE2' ' A' ' 110' ' ' PHE . 37.7 mtt180 -38.19 -31.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -90.55 -41.96 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -62.67 -51.83 65.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 16' ' ' LEU . 18.7 t -44.85 -53.07 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.573 HD12 ' CE2' ' A' ' 111' ' ' PHE . 48.0 mt -48.43 -45.45 36.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mt -59.78 -58.85 6.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.4 mt-10 -47.16 -54.69 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 2.9 m-30 -40.65 -47.1 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.63 -42.78 97.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -61.05 -19.94 61.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.498 ' O ' ' CZ ' ' A' ' 83' ' ' ARG . 1.5 mptp? -100.47 38.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.3 t -122.2 94.04 48.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.7 42.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.75 43.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 168.09 25.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.813 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.97 158.36 42.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 112.42 3.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.24 -57.78 0.72 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.436 ' CG1' ' HD2' ' A' ' 36' ' ' PRO . 14.3 p -39.98 141.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -101.98 141.88 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.51 145.32 50.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -100.01 123.06 43.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -60.16 138.57 57.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.09 91.02 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -55.82 -47.28 77.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -45.93 -24.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' GLN . 1.8 t -118.86 100.15 7.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' CYS . 11.2 mt-30 -37.33 -42.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 33.0 p -52.58 146.78 16.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 49' ' ' THR . 18.3 Cg_endo -74.96 65.43 6.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -105.52 103.08 12.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -100.61 150.28 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.551 HG13 ' CE1' ' A' ' 66' ' ' PHE . 30.3 m -143.21 159.24 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.426 ' CD2' ' CG2' ' A' ' 39' ' ' VAL . 86.3 t60 -149.39 129.88 13.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' CB ' ' CG2' ' A' ' 130' ' ' VAL . . . -117.9 136.08 53.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 74.9 m-20 -144.59 174.66 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.412 HG23 ' CB ' ' A' ' 133' ' ' ALA . 57.8 t -130.36 115.07 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.98 125.06 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.07 34.98 89.91 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.15 3.0 55.43 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -114.43 154.79 27.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -96.18 127.36 48.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.536 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 2.5 mmm-85 -93.58 108.71 20.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' CD1' HG21 ' A' ' 62' ' ' VAL . 6.8 mp -82.24 133.49 35.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 49.3 m-85 -138.04 119.05 14.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 60.1 m-85 -117.93 149.98 40.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -145.87 114.38 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG23 ' CG2' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -138.89 112.57 8.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.96 -63.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.8 OUTLIER -39.29 -28.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' PRO . 18.4 mt-10 67.64 32.42 5.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -51.3 134.63 32.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.04 -10.73 21.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.418 HG21 ' NH1' ' A' ' 115' ' ' ARG . 0.9 OUTLIER -97.81 -54.44 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.566 ' CG2' HG23 ' A' ' 68' ' ' VAL . 5.0 m -54.2 -49.98 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 1.5 tttt -60.99 -45.15 95.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -36.66 -68.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 0.4 OUTLIER -45.52 -54.24 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . . . -40.34 -50.66 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 84' ' ' GLU . . . -62.2 -34.63 89.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -66.35 -42.0 88.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 3.2 mm? -66.44 -57.48 7.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 31' ' ' LYS . 1.1 ptm180 -64.39 -12.11 39.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.514 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 3.8 mm-40 -71.28 -34.75 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -141.86 46.8 0.87 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 49.1 mt -155.81 -44.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -51.08 111.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.18 -14.01 66.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 86' ' ' LEU . 6.3 mm-40 -65.91 -176.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.467 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 1.2 m -92.82 163.15 26.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.432 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.96 -35.19 3.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 2.6 mm-40 -70.68 -35.52 72.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.14 -30.61 49.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 90' ' ' SER . 21.5 t -72.95 -46.47 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 4.6 mm? -61.09 -37.09 81.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 3.8 mm-40 -57.46 -16.76 10.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.433 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 46.3 t -77.51 113.82 35.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.89 21.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.01 10.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.81 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.489 ' HA2' ' CE2' ' A' ' 102' ' ' TYR . . . -137.01 48.42 0.91 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 7.0 p90 -78.24 1.77 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.489 ' CE2' ' HA2' ' A' ' 100' ' ' GLY . 50.8 p90 -105.92 -36.11 7.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 102' ' ' TYR . 17.5 mtt-85 -36.9 119.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 116.9 -69.21 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 46.9 m-85 -38.07 -85.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 0.767 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 158.71 58.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 10' ' ' LEU . 1.9 mt -100.7 -39.09 8.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 110' ' ' PHE . 15.4 mt-10 -58.53 -48.21 81.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -40.8 -28.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 21' ' ' ARG . 87.4 m-85 -104.29 -50.66 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.573 ' CE2' HD12 ' A' ' 25' ' ' LEU . 42.9 m-85 -76.93 107.27 9.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 111' ' ' PHE . 59.7 p -38.87 158.59 0.1 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -8.07 19.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.43 -66.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.418 ' NH1' HG21 ' A' ' 74' ' ' THR . 69.7 mtt180 -48.62 -42.91 35.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.9 mt -40.89 -60.19 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -41.06 -54.47 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 121' ' ' ALA . . . -63.76 -56.53 18.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -39.83 -64.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -43.13 -44.25 4.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . . . -48.07 -38.84 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -49.4 -57.49 6.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.89 -53.38 58.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.6 -38.84 56.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -66.5 -61.52 1.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 mt -49.8 -51.19 41.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 19.6 mt-30 -52.52 -27.7 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.163 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.22 -26.96 30.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -82.2 -29.58 31.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.465 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 99.8 t -79.17 -55.63 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 7.3 mtt180 -42.79 -35.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -62.66 -44.82 95.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -54.38 -48.41 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.9 mp -45.18 -51.98 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 15.2 t -74.92 -25.39 58.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.43 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 16.1 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.02 172.11 17.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.93 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' PRO . 1.1 mmmt -37.63 -32.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -87.64 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -43.63 -30.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -53.36 47.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.71 -57.06 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 48.6 mt -46.77 -56.9 5.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.23 -55.61 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -48.82 -61.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 21.2 t80 -42.76 -62.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' CD ' ' HA ' ' A' ' 105' ' ' TYR . 5.3 tttp -56.19 -23.05 32.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.3 t -86.79 -7.21 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.948 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.472 ' CD1' HD22 ' A' ' 12' ' ' LEU . 60.7 mt -92.58 160.28 34.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 20' ' ' LEU . 18.1 Cg_endo -75.08 127.91 11.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 17' ' ' PRO . 31.8 tttt -31.45 -67.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 12.8 pt-20 -35.95 -49.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 17' ' ' PRO . 17.6 mt -68.55 -50.16 54.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.598 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 32.7 mtm-85 -48.12 -28.21 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -33.47 73.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.8 pt20 -89.26 -36.31 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.469 HG13 ' CE1' ' A' ' 28' ' ' TYR . 55.1 t -52.92 -53.31 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 52.1 mt -53.88 -37.97 64.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 4.2 mm? -64.04 -55.82 19.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.91 -51.92 21.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.536 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.5 m-30 -44.1 -52.54 7.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.424 ' HB1' ' N ' ' A' ' 77' ' ' ALA . . . -63.46 -32.52 73.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -85.89 -34.01 21.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.2 t -41.28 101.29 0.24 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.81 43.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.08 40.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 155.82 42.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD3' ' CD1' ' A' ' 65' ' ' TYR . 18.1 Cg_endo -74.99 161.03 39.45 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.439 1.758 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 128.28 11.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.06 -31.9 7.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 13.8 t -63.69 134.19 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 4.7 tt0 -102.32 130.55 49.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 53' ' ' VAL . 3.1 mp -114.83 152.04 32.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -109.93 134.1 52.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -71.63 138.35 48.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.6 t -95.95 94.9 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -30.23 71.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.626 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 1.3 tt0 -59.55 -15.23 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.426 ' C ' ' CG ' ' A' ' 48' ' ' GLN . 5.7 t -107.57 -18.59 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 108.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.426 ' CG ' ' C ' ' A' ' 47' ' ' CYS . 1.3 mt-30 79.32 -59.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -53.37 161.55 1.41 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 62.14 5.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -99.86 107.54 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.47 157.83 17.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.576 HG21 ' CD1' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -157.74 173.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 65.0 t60 -164.62 113.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' O ' ' OD1' ' A' ' 56' ' ' ASP . . . -100.31 141.28 33.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 63' ' ' ARG . 19.4 m-20 -165.71 165.37 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.491 HG12 ' CB ' ' A' ' 133' ' ' ALA . 1.3 p -136.21 121.25 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.79 102.35 9.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.76 -80.77 0.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.6 23.08 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -140.32 141.95 35.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.539 ' CG1' ' C ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -88.98 127.05 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -94.0 115.83 28.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 83' ' ' ARG . 11.3 mt -92.14 131.9 37.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.517 ' CD1' ' HD3' ' A' ' 36' ' ' PRO . 67.5 m-85 -134.89 123.38 23.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CD1' HG21 ' A' ' 53' ' ' VAL . 70.0 m-85 -123.72 149.05 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -146.54 112.63 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.619 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.483 ' CG1' ' HD2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -138.07 115.83 9.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.458 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.3 Cg_endo -74.91 -61.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 69' ' ' PRO . 16.6 t0 -39.19 -29.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 69' ' ' PRO . 11.5 mt-10 61.19 47.51 7.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.19 128.39 80.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 18.5 Cg_endo -74.93 -6.54 18.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 p -92.63 -33.2 14.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.0 t -92.12 -45.4 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.483 ' HD2' ' CG1' ' A' ' 68' ' ' VAL . 2.8 tttt -62.57 -42.6 99.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.424 ' N ' ' HB1' ' A' ' 29' ' ' ALA . . . -39.93 -67.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 2.6 t80 -43.51 -46.18 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . . . -46.75 -55.98 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -58.33 -40.18 93.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.446 1.092 . . . . 0.0 111.017 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' CD2' ' A' ' 81' ' ' LEU . 4.3 tt -61.54 -42.09 98.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 0.738 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.77 -58.26 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.479 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -64.52 -23.76 67.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.536 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 4.4 mm-40 -54.62 -35.76 63.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.481 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -140.84 50.09 0.76 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 66.4 mt -155.77 -45.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.42 113.86 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.14 -17.49 51.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -68.44 -167.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.539 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 1.6 p -98.96 158.2 32.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.478 ' HG3' ' CG2' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.02 -8.83 20.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -93.19 -32.74 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.18 -35.17 36.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.46 -26.49 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.469 ' CD1' HG11 ' A' ' 130' ' ' VAL . 10.6 mt -82.55 -33.35 28.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.46 -5.41 23.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.456 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 75.4 t -80.33 127.56 75.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.22 41.72 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.33 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.66 24.79 3.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 4.7 p90 -54.06 -28.64 40.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.554 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 29.2 p90 -77.65 -28.84 51.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.453 ' HG2' ' CE1' ' A' ' 102' ' ' TYR . 8.2 mtp180 -47.39 128.46 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 72.13 77.17 0.56 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 7.6 m-85 -173.08 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 109' ' ' GLU . . . 154.04 -36.9 0.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.515 ' CD1' ' CE2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -39.83 -54.25 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.52 -54.54 42.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 106' ' ' GLY . 2.4 mt-10 -40.11 -49.24 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -80.08 -54.69 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 112' ' ' THR . 54.6 m-85 -79.33 108.79 13.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 111' ' ' PHE . 7.3 p -41.04 162.67 0.11 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -5.83 17.3 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.43 1.752 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.97 -63.55 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -51.71 -35.91 44.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.5 mt -49.58 -48.98 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -39.98 -46.6 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.75 -51.7 49.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -49.33 -44.85 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.781 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -55.08 -49.02 72.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . . . -54.39 -39.25 67.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.99 -53.18 21.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 0.9 OUTLIER -65.95 -60.44 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' LEU . 17.0 mt -39.98 -35.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -70.01 -55.83 8.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.502 HD23 ' CG1' ' A' ' 53' ' ' VAL . 11.3 mt -53.76 -46.85 71.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.468 ' HG3' ' CD2' ' A' ' 123' ' ' LEU . 26.4 mt-30 -56.84 -29.08 62.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.42 -40.49 29.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.447 ' HA ' ' CE ' ' A' ' 132' ' ' LYS . 51.0 mt-30 -65.7 -29.07 69.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.469 HG11 ' CD1' ' A' ' 95' ' ' LEU . 58.0 t -65.48 -51.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 130' ' ' VAL . 20.9 mtp85 -36.34 -45.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -71.68 -46.45 58.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.491 ' CB ' HG12 ' A' ' 57' ' ' VAL . . . -54.07 -25.77 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 91' ' ' PRO . 17.8 mt -56.49 -39.84 73.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.7 p -101.7 -16.68 16.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.5 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 45.7 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 173.57 14.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.438 ' CA ' ' OE1' ' A' ' 8' ' ' GLN . 18.4 Cg_endo -75.03 -55.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.8 OUTLIER -40.05 -43.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.469 ' CD2' HG13 ' A' ' 2' ' ' VAL . 16.2 tp -75.61 -68.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.0 tptm -39.48 -33.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.438 ' OE1' ' CA ' ' A' ' 4' ' ' PRO . 1.4 mp0 -63.58 -52.13 62.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -60.54 -58.65 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 71.1 mt -47.79 -50.81 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.25 -59.53 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 16' ' ' LEU . 41.3 tp -51.39 -43.25 61.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CZ ' HD23 ' A' ' 25' ' ' LEU . 30.8 t80 -51.84 -63.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -56.75 -29.73 62.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -76.87 -25.49 53.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . 27.8 mt -73.94 157.38 87.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.4 Cg_endo -74.96 136.37 20.4 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 17' ' ' PRO . 6.7 tttt -34.78 -68.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -34.48 -56.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' GLN . 24.1 mt -62.48 -46.8 86.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 14.0 mtt180 -46.81 -23.8 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -80.92 -38.0 28.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.061 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.525 ' CG ' ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -71.39 -50.6 30.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.525 ' N ' ' CG ' ' A' ' 23' ' ' GLN . 3.4 p -46.12 -48.84 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.664 ' CD1' ' CE1' ' A' ' 110' ' ' PHE . 30.8 mt -51.96 -46.66 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.51 -48.08 73.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' ALA . 2.4 mm-40 -50.64 -57.37 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 6.2 m-30 -41.11 -58.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.2 -36.34 40.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -68.88 -25.48 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' TYR . 1.2 mppp? -96.13 30.33 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -119.44 100.02 49.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.67 41.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.12 42.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 158.03 42.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.29 41.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.9 11.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.17 -32.91 5.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.13 129.6 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 5.4 tt0 -98.43 118.79 35.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.54 146.56 28.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -103.73 120.58 41.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -56.55 147.79 21.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.2 t -103.7 91.67 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.26 -36.32 79.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.622 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -21.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.3 t -104.32 158.39 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 108.325 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -71.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -64.45 157.2 73.59 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 77.48 3.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.438 ' CE1' HG13 ' A' ' 53' ' ' VAL . 2.3 t80 -93.38 105.35 17.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -89.98 142.5 27.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG13 ' CE1' ' A' ' 51' ' ' PHE . 20.9 m -136.26 163.21 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 11.1 t60 -162.17 125.07 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.51 129.3 55.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 1.1 m-20 -136.95 174.49 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 93.6 t -126.34 102.34 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.07 101.99 13.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.4 -83.65 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.572 1.17 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.31 13.16 2.06 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 22.8 mtmt -124.54 160.35 28.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -95.57 126.62 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 9.7 mmt180 -89.57 121.08 31.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.505 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 1.7 mp -102.09 137.45 40.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 36.9 m-85 -147.06 119.78 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -124.55 145.3 49.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -138.67 114.04 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.599 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.463 HG13 ' CG2' ' A' ' 75' ' ' VAL . 3.5 t -125.8 116.69 24.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -63.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -21.5 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 66.97 25.39 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.47 ' CB ' HG12 ' A' ' 75' ' ' VAL . . . -42.5 126.39 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.11 21.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 p -96.07 -28.14 14.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 72' ' ' ALA . 3.2 m -87.83 -45.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 75' ' ' VAL . 2.2 tttt -63.41 -49.96 71.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -38.92 -63.57 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 6.9 t80 -47.04 -52.31 15.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.75 -37.91 14.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.12 -26.61 63.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -77.61 -32.67 53.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 86.6 mt -69.79 -49.2 55.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -74.75 -13.41 60.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.541 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 3.4 mm-40 -59.75 -41.74 91.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.43 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -130.92 48.99 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.43 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 68.4 mt -154.99 -43.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.479 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 1.1 tt0 -48.52 119.15 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.07 -19.47 34.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 86' ' ' LEU . 64.0 mm-40 -65.18 177.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.531 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -88.25 158.49 49.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.545 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 18.2 Cg_endo -74.98 -12.84 21.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.783 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -84.99 -33.89 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.9 -35.08 29.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.545 ' CG2' ' HA ' ' A' ' 91' ' ' PRO . 11.6 m -66.35 -48.48 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.426 ' HA ' ' NE2' ' A' ' 127' ' ' GLN . 6.0 mt -56.46 -36.74 69.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.88 -11.44 18.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 94' ' ' VAL . 21.5 t -74.76 120.34 81.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.518 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.0 160.2 40.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.03 8.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.411 ' HA2' ' CE2' ' A' ' 102' ' ' TYR . . . -132.66 22.84 4.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.529 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 14.0 p90 -50.8 -31.86 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 41.7 p90 -72.23 -25.51 61.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HG3' ' CA ' ' A' ' 100' ' ' GLY . 21.5 mtp180 -51.02 145.84 6.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 56.55 80.13 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.9 m-85 -178.47 -45.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 150.59 -36.89 0.91 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mt -50.7 -24.07 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 0.736 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.05 -39.89 71.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -9.84 58.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -91.33 -63.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -83.74 130.6 34.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.0 p -54.1 157.2 4.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.88 16.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mt -87.54 -49.92 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -37.43 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.1 mt -50.74 -44.4 58.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -54.46 -33.42 59.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.64 -31.92 25.87 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 19.5 mt -67.11 -36.67 82.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.55 -49.95 75.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.49 49.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.62 -57.55 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 98' ' ' PRO . 3.2 tt -57.25 -61.46 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.9 mt -44.74 -57.24 3.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 128' ' ' ALA . 68.3 mtt-85 -46.82 -67.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 129' ' ' GLN . 2.9 mt -41.24 -56.45 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 88.5 mt-30 -51.38 -36.46 43.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -69.91 -20.88 63.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 8.1 mt-30 -87.49 -11.03 50.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' CB ' ' A' ' 91' ' ' PRO . 78.0 t -95.59 -49.01 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -46.83 -41.88 16.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.509 ' CD ' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -69.26 -32.88 72.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.509 ' N ' ' CD ' ' A' ' 132' ' ' LYS . . . -68.14 -30.63 69.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.47 -42.64 99.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 132' ' ' LYS . 15.0 t -71.55 -6.57 41.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 23.3 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.06 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.515 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -41.96 -37.6 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -80.24 -64.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -41.77 -32.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -47.57 81.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -65.17 -64.73 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 70.9 mt -40.95 -44.95 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -72.36 -65.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LEU . 28.8 tp -41.66 -45.76 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 10.2 t80 -57.8 -62.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -55.83 -19.11 10.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -89.11 -32.6 17.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.444 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 34.6 mt -70.55 160.32 81.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.01 134.73 18.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -33.96 -68.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 18' ' ' LYS . 2.1 pt-20 -34.92 -57.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' CD2' ' NE2' ' A' ' 23' ' ' GLN . 18.2 mt -57.37 -55.78 30.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.9 mtt180 -38.81 -31.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -64.52 -53.9 40.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.986 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.495 ' NE2' ' CD2' ' A' ' 20' ' ' LEU . 1.1 pt20 -66.14 -39.91 90.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -50.25 -64.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 110' ' ' PHE . 78.7 mt -44.08 -39.83 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.02 -56.09 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.1 -53.8 24.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -41.04 -44.7 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -64.3 -47.93 77.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.22 -19.97 16.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.05 24.51 3.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.406 HG12 ' CE ' ' A' ' 76' ' ' LYS . 58.0 t -116.17 100.99 53.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.51 36.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 154.74 42.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.55 35.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.97 153.25 41.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.59 4.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.2 36.18 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 78.9 t -138.8 124.6 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -87.64 113.74 23.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mp -100.93 144.09 30.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -100.92 143.38 31.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -81.13 130.78 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' A' ' 121' ' ' ALA . 48.6 t -93.63 91.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -54.64 -39.87 68.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.569 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -43.44 -31.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.2 t -100.25 124.87 46.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.338 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -55.82 -33.12 64.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.0 p -77.34 155.88 81.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.611 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.02 66.99 6.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.799 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -91.05 141.76 28.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' ' O ' ' A' ' 50' ' ' PRO . 8.2 m-85 -137.82 140.59 40.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.583 HG21 ' CD1' ' A' ' 66' ' ' PHE . 4.9 p -143.92 155.28 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -152.84 134.02 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.573 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -117.52 151.33 37.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 39.5 m-20 -158.9 166.89 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.459 ' CG2' ' CB ' ' A' ' 133' ' ' ALA . 96.9 t -116.17 107.39 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.53 123.27 37.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.85 46.52 94.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.25 23.36 40.47 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -125.52 177.53 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.4 t -110.42 124.52 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.578 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 3.5 mmt85 -103.55 108.77 20.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.54 150.95 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 65.2 m-85 -153.32 120.24 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CD1' HG21 ' A' ' 53' ' ' VAL . 92.2 m-85 -117.85 165.79 13.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -151.76 115.18 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.604 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.547 HG21 ' CD ' ' A' ' 76' ' ' LYS . 95.7 t -127.98 100.28 24.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -60.46 -10.16 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CA ' HG11 ' A' ' 68' ' ' VAL . 4.6 mt-10 66.28 14.73 9.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.47 119.98 4.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -75.02 -52.91 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.764 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 p -42.58 -28.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' PRO . 85.9 t -94.04 -36.42 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.547 ' CD ' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -60.66 -50.59 72.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.85 -62.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 10.5 t80 -52.82 -56.8 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.34 -46.53 9.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 84' ' ' GLU . . . -68.19 -26.18 74.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -68.12 -41.12 82.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 78' ' ' PHE . 3.5 mm? -55.58 -59.19 5.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -62.6 -37.95 88.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.36 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -35.81 -36.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.461 ' N ' ' HG3' ' A' ' 84' ' ' GLU . . . -147.88 54.35 0.52 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.507 ' CG ' ' O ' ' A' ' 82' ' ' LEU . 77.7 mt -156.27 -45.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.427 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 4.8 tt0 -55.65 115.53 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.61 -15.47 59.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -68.65 -173.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 p -94.15 158.46 35.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.482 ' HB2' ' CD1' ' A' ' 134' ' ' LEU . 18.3 Cg_endo -74.99 -9.18 20.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.62 -39.03 10.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.58 -32.23 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.441 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 3.4 t -68.51 -44.35 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.488 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 3.9 mm? -58.17 -36.2 72.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.53 -27.56 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.492 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 25.6 t -63.64 112.77 7.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.407 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.0 164.59 33.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -0.42 9.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -129.32 24.47 4.7 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 3.1 p90 -58.95 -23.45 61.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -81.68 -25.35 35.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -51.46 134.44 28.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 63.12 79.18 0.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 4.8 m-85 -175.6 -46.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 159.61 -43.25 0.45 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.574 ' CD1' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -47.24 -43.27 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.734 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.39 -57.21 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.98 -47.17 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.476 ' CE1' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -49.98 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -85.46 150.48 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -71.16 162.95 69.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -10.0 20.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -89.23 -54.52 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -31.15 65.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' GLY . 20.1 mt -67.74 -47.0 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' LEU . 8.3 mtm180 -38.78 -30.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -94.73 -55.87 1.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.2 mp -41.7 -36.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 121' ' ' ALA . 21.4 mm-40 -69.0 -47.76 64.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 118' ' ' GLY . . . -39.34 -49.2 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.97 -70.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 60.9 tp -43.65 -57.81 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.1 mt -45.76 -55.37 6.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 128' ' ' ALA . 3.1 mtt85 -56.46 -59.55 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.583 ' CD2' ' CG2' ' A' ' 53' ' ' VAL . 3.7 mt -47.36 -50.18 22.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 49.6 mt-30 -60.97 -26.51 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -86.27 -15.72 39.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -98.64 -25.12 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 133' ' ' ALA . 33.2 t -80.82 -52.38 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.488 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 22.2 mtp180 -35.62 -33.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' VAL . 2.3 mtpp -66.07 -55.87 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -43.89 -47.35 8.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 91' ' ' PRO . 8.1 mp -43.46 -37.9 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' LYS . 13.9 t -117.64 28.61 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' A' ' 97' ' ' VAL . 3.7 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.426 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.96 176.14 10.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 3' ' ' PRO . 18.1 Cg_endo -75.05 -56.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' OE2' ' A' ' 84' ' ' GLU . 4.0 mtpt -38.99 -35.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -83.71 -64.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 7.7 tptt -42.75 -33.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -67.63 -49.25 63.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -55.82 -58.68 6.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 36.6 mt -48.35 -58.06 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.29 -62.24 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.0 tp -46.71 -59.46 3.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 22.6 t80 -38.93 -63.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.24 -33.63 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.2 t -71.28 -22.15 62.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 12' ' ' LEU . 44.3 mt -79.29 159.86 71.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.1 Cg_endo -75.1 135.44 18.91 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -35.21 -68.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.364 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 12.6 pt-20 -36.03 -46.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 11.4 mt -70.75 -52.63 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -38.73 -50.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -48.24 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.98 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -65.41 -39.86 92.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 28' ' ' TYR . 39.9 t -52.68 -63.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 110' ' ' PHE . 71.6 mt -42.39 -41.5 2.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.07 -56.76 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.78 -52.43 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CE1' HG13 ' A' ' 24' ' ' VAL . 3.4 m-30 -43.17 -57.83 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.417 ' HB2' ' N ' ' A' ' 77' ' ' ALA . . . -51.22 -42.92 61.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.07 -25.77 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.87 39.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.471 HG23 ' CA ' ' A' ' 80' ' ' GLY . 87.5 t -128.55 98.13 26.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.31 41.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.69 42.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 153.84 41.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.44 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.1 Cg_endo -75.03 163.99 34.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.35 13.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.91 -39.58 2.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.44 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 60.0 t -57.41 122.38 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.456 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 15.6 tt0 -90.84 126.68 36.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.41 144.46 44.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -104.87 133.85 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 50' ' ' PRO . 15.8 ttt180 -72.02 148.78 45.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 43.2 t -95.91 90.65 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -56.31 -29.41 61.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -62.8 -17.65 61.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.3 t -109.37 131.48 55.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 1.2 mt-30 -58.31 -68.22 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -52.09 160.49 1.19 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 43' ' ' ARG . 18.2 Cg_endo -75.0 110.32 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HB1' ' A' ' 79' ' ' ALA . 8.4 t80 -136.94 135.88 38.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -131.71 132.69 44.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' HB ' ' CD2' ' A' ' 126' ' ' LEU . 22.6 m -128.67 159.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.462 ' ND1' ' OE1' ' A' ' 129' ' ' GLN . 69.1 t60 -164.29 127.43 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.604 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.33 152.85 36.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -159.15 163.1 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.64 107.43 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -102.7 102.53 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.44 -79.16 1.94 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.29 23.67 0.45 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -129.0 176.62 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG2' ' C ' ' A' ' 90' ' ' SER . 26.4 t -105.64 137.71 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.574 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 11.8 mmt-85 -118.11 102.72 9.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 7.7 mt -92.07 149.92 21.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 60.1 m-85 -152.95 119.91 5.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.461 ' CE2' HG12 ' A' ' 53' ' ' VAL . 78.0 m-85 -121.54 154.13 37.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -142.91 122.64 13.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.635 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.2 t -128.22 111.23 19.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.94 -70.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -39.67 -30.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' A' ' 69' ' ' PRO . 0.4 OUTLIER 70.15 58.16 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.455 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -84.28 134.18 43.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -29.01 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -87.37 -15.23 38.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 72' ' ' ALA . 58.5 t -94.23 -42.39 12.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -71.63 -43.92 65.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.417 ' N ' ' HB2' ' A' ' 29' ' ' ALA . . . -41.44 -66.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.613 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 8.8 t80 -50.47 -59.76 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.578 ' HB1' ' CZ ' ' A' ' 51' ' ' PHE . . . -41.66 -47.09 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.471 ' CA ' HG23 ' A' ' 32' ' ' VAL . . . -65.4 -32.62 84.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -60.62 -33.46 72.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 2.6 mm? -68.45 -51.02 48.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HG2' ' CB ' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -72.61 -12.61 61.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -66.14 -36.12 82.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.471 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -141.19 56.22 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.485 ' CG ' ' O ' ' A' ' 82' ' ' LEU . 63.6 mt -156.09 -48.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.467 ' CB ' ' HG2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -54.25 124.37 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.48 -10.66 74.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 72.8 mm-40 -76.93 -174.08 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.502 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -92.62 161.84 31.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.011 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -11.26 21.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -95.04 -37.08 11.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 96' ' ' GLU . . . -75.87 -13.8 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.443 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 6.1 t -90.17 -36.22 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.478 HD11 ' CD ' ' A' ' 131' ' ' ARG . 4.1 mm? -73.49 -37.89 65.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 11.9 pt-20 -57.87 -16.41 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.526 ' CG1' HG13 ' A' ' 2' ' ' VAL . 4.1 t -76.44 120.16 80.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 166.74 28.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HB3' ' CD2' ' A' ' 124' ' ' LEU . 18.3 Cg_endo -75.02 -0.0 9.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.94 36.1 2.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 7.8 p90 -64.41 -25.87 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 39.8 p90 -80.44 -9.79 59.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -52.51 146.45 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 53.25 76.54 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 11.7 m-85 -171.14 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 108' ' ' GLU . . . 163.29 -45.77 0.33 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -39.51 -30.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.472 ' HA ' ' CD1' ' A' ' 116' ' ' LEU . 1.2 mt-10 -54.76 -59.77 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.249 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -32.62 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.568 ' CD1' HD13 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -57.58 -48.43 79.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 115' ' ' ARG . 83.4 m-85 -114.07 16.56 18.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.062 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 111' ' ' PHE . 3.0 p 54.16 166.71 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -9.54 20.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -88.06 -69.17 0.71 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -42.97 -26.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 108' ' ' GLU . 48.7 mt -76.13 -55.73 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 116' ' ' LEU . 18.8 mtt180 -38.36 -42.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -76.51 -41.3 25.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.613 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 30.7 mt -61.58 -48.04 82.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 119' ' ' LEU . 53.3 mt-10 -38.2 -47.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 46' ' ' GLU . . . -44.35 -48.89 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.32 -65.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 124' ' ' LEU . 0.7 OUTLIER -55.67 -61.77 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 123' ' ' LEU . 31.7 mt -38.91 -43.96 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 128' ' ' ALA . 8.5 mtp85 -65.86 -62.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.466 ' CD2' ' HB ' ' A' ' 53' ' ' VAL . 49.2 mt -42.34 -55.86 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 23.2 mt-30 -45.53 -37.54 5.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -72.77 -39.93 66.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.462 ' OE1' ' ND1' ' A' ' 54' ' ' HIS . 32.5 mt-30 -63.85 -31.46 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 133' ' ' ALA . 60.7 t -78.3 -58.72 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.478 ' CD ' HD11 ' A' ' 95' ' ' LEU . 6.2 mtt180 -41.18 -36.72 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 135' ' ' THR . 0.0 OUTLIER -63.12 -46.52 86.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -52.06 -48.68 64.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.3 mp -43.75 -41.3 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 132' ' ' LYS . 14.8 t -89.6 -27.02 20.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 132' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.496 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 44.9 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.01 173.13 15.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -74.98 -55.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -38.44 -37.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' ALA . 11.1 tp -86.61 -61.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -41.57 -33.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -49.63 71.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -63.54 -65.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 105' ' ' TYR . 60.9 mt -40.63 -53.69 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.39 -65.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' LEU . 15.9 tp -41.68 -48.26 4.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -55.06 -61.46 2.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -51.46 -30.66 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 t -78.94 -36.97 40.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' LEU . 21.8 mt -60.53 154.86 52.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.03 137.43 21.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 17' ' ' PRO . 4.6 ttmm -34.38 -69.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -34.09 -55.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ARG . 14.8 mt -63.54 -54.55 34.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' LEU . 8.1 mtt180 -35.08 -38.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 23' ' ' GLN . 26.4 p -65.33 -64.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' N ' ' OG ' ' A' ' 22' ' ' SER . 2.1 mm100 -47.22 -32.25 4.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.497 HG11 ' CE1' ' A' ' 28' ' ' TYR . 93.7 t -62.32 -66.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.525 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 64.8 mt -40.34 -36.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.1 mt -70.19 -53.34 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.34 -44.64 54.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 4.2 m-30 -52.84 -62.01 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -55.4 -32.37 62.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.57 74.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -81.66 -32.66 31.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -46.64 104.44 0.41 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 157.0 42.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.53 43.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.38 38.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.452 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 153.46 41.82 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.78 5.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.538 1.809 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.16 -20.73 9.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.452 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 40.1 t -79.22 123.87 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -89.31 125.82 35.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -111.2 147.26 35.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.56 130.6 52.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.86 147.17 53.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 51' ' ' PHE . 21.6 t -107.15 91.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -54.12 -33.44 57.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.611 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.99 -29.98 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.1 t -97.27 134.46 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.25 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -52.7 -47.54 67.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.4 p -77.4 159.51 77.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 75.26 3.75 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' VAL . 23.6 t80 -89.31 124.59 34.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -111.69 127.51 55.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.424 ' CG1' ' CE2' ' A' ' 51' ' ' PHE . 15.6 m -124.74 162.22 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -161.91 116.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.595 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.411 ' N ' ' OE1' ' A' ' 129' ' ' GLN . . . -111.53 132.93 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 5.1 m-20 -143.63 167.54 22.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.41 111.21 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -105.87 102.42 11.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.234 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.73 -75.14 2.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.64 22.5 0.41 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -134.48 154.53 51.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -96.82 126.03 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -96.32 107.11 19.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 83' ' ' ARG . 27.8 mt -82.49 136.39 34.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 55.9 m-85 -136.41 139.67 42.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.463 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 71.2 m-85 -147.86 142.33 26.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -130.53 112.17 12.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.6 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.41 112.65 37.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -65.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -50.06 -25.02 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 64.44 52.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.1 133.35 69.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -6.43 18.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.73 -32.2 12.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.8 t -88.12 -43.46 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 8.1 tttt -66.35 -46.52 76.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.419 ' N ' ' HB1' ' A' ' 29' ' ' ALA . . . -41.94 -58.68 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 119' ' ' LEU . 2.5 t80 -51.33 -53.73 33.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.463 ' HB1' ' CG ' ' A' ' 66' ' ' PHE . . . -45.43 -39.1 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.16 -35.8 47.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.442 HD21 ' CD1' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -68.83 -29.09 67.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.36 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 86.9 mt -70.1 -59.91 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 87' ' ' GLU . 2.2 ptt85 -60.16 -33.5 72.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.576 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 2.8 mm-40 -36.69 -55.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.516 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -127.07 51.23 0.86 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 57.6 mt -156.02 -45.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tt0 -65.19 118.59 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.05 -25.34 28.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -71.81 174.61 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.509 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.6 m -78.54 159.28 74.85 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.507 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 18.3 Cg_endo -75.02 -6.65 18.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.15 -35.5 18.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 96' ' ' GLU . . . -81.85 -26.03 34.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.534 ' CG2' HD22 ' A' ' 95' ' ' LEU . 4.4 m -75.93 -43.75 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.534 HD22 ' CG2' ' A' ' 94' ' ' VAL . 4.2 mm? -62.02 -38.35 88.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 1.8 pt-20 -58.06 -18.66 26.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 86' ' ' LEU . 38.7 t -72.03 116.12 45.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.528 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.98 174.3 13.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.41 12.51 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.81 55.07 0.6 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.653 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 8.1 p90 -75.84 -33.92 60.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 48.6 p90 -69.5 -28.08 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -42.71 128.03 4.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 73.6 77.34 0.62 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 3.5 m-85 -175.69 -47.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 0.739 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 154.46 -39.09 0.66 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.468 ' CD1' ' CD2' ' A' ' 10' ' ' LEU . 10.6 mt -49.09 -56.03 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -40.17 -40.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -77.94 -57.87 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.72 -66.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.525 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 84.2 m-85 -81.89 141.87 32.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 40.1 p -60.99 156.24 49.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -19.0 18.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.62 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 118' ' ' GLY . 8.1 mtm-85 -62.71 -43.12 99.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.4 mt -43.48 -47.32 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -53.16 -39.42 63.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -74.5 -39.37 42.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 38.1 mt -62.21 -58.01 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 123' ' ' LEU . 12.8 mt-10 -43.3 -50.52 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -34.14 -46.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.23 -53.93 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.528 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 15.2 tp -60.06 -45.29 93.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.406 HD21 ' O ' ' A' ' 120' ' ' GLU . 2.5 mm? -56.0 -51.71 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 128' ' ' ALA . 18.3 mtp85 -64.02 -59.88 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.7 mt -44.66 -54.05 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 95' ' ' LEU . 57.2 mt-30 -53.85 -33.94 57.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -72.63 -28.09 62.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.411 ' OE1' ' N ' ' A' ' 55' ' ' ALA . 95.4 mt-30 -80.81 -23.58 39.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 91' ' ' PRO . 61.5 t -82.65 -62.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.456 ' CD ' HD13 ' A' ' 95' ' ' LEU . 2.5 mtt180 -38.4 -38.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 133' ' ' ALA . 2.4 pttt -71.01 -50.32 35.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 132' ' ' LYS . . . -51.8 -39.01 57.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 91' ' ' PRO . 14.7 mt -54.02 -42.01 68.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.2 t -107.23 19.15 20.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 132' ' ' LYS . 54.8 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.497 ' CG1' HD22 ' A' ' 6' ' ' LEU . 12.4 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.99 168.69 24.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.98 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -39.84 -46.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.497 HD22 ' CG1' ' A' ' 2' ' ' VAL . 14.8 tp -78.58 -58.26 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -41.4 -33.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -48.21 66.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -64.02 -51.41 64.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 105' ' ' TYR . 40.7 mt -54.07 -62.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -51.39 -48.97 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -53.53 -68.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 36.4 t80 -40.33 -61.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -46.13 -33.39 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' LEU . 5.7 t -77.74 -38.54 46.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' PHE . 16.4 mt -55.2 154.51 10.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -74.99 134.53 17.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 17' ' ' PRO . 9.0 tttm -35.36 -68.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.5 pt-20 -35.03 -48.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 15.4 mt -69.49 -51.92 31.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.6 mtm180 -43.46 -35.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.38 -51.52 69.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -69.89 -34.42 73.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 67.7 t -55.63 -69.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.55 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 82.7 mt -41.79 -40.91 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.55 -52.84 62.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.9 mt-10 -49.91 -57.77 6.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.0 m-85 -35.2 -57.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.06 -45.5 61.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -62.41 -25.99 68.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HZ1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -79.59 -33.53 41.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.43 ' CG2' ' CA ' ' A' ' 80' ' ' GLY . 79.2 t -52.23 107.24 0.79 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.03 161.46 38.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 153.49 41.7 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 142.45 27.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.444 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 163.36 35.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.28 18.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.81 -25.03 27.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.444 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 54.5 t -68.72 130.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.7 116.34 32.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.69 145.01 32.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -108.1 136.24 48.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.91 146.31 54.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' PHE . 70.5 t -103.03 91.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -43.59 68.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.605 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.445 ' CB ' ' CB ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -43.64 -30.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.8 t -98.72 131.15 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.294 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -53.61 -46.7 70.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.0 p -72.93 157.59 88.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 67.02 5.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' VAL . 13.5 t80 -88.29 119.5 28.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -100.35 167.02 10.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.633 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -160.43 170.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.435 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 61.0 t60 -165.39 157.29 14.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.29 130.8 16.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD2' ' NE2' ' A' ' 54' ' ' HIS . 79.8 m-20 -148.71 161.33 41.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.6 t -121.1 105.81 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -97.61 102.51 14.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.95 -78.26 1.71 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.84 20.46 0.78 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -132.07 150.78 52.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -92.43 121.42 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 7.5 mmt180 -93.49 103.07 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 59.6 mt -86.43 146.29 26.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 69.0 m-85 -147.94 151.18 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 53' ' ' VAL . 67.7 m-85 -152.85 150.48 29.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -135.33 112.38 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.581 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.419 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 2.2 t -113.1 110.62 51.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -75.01 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.57 -27.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' PRO . 3.0 mt-10 70.66 35.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.04 131.29 95.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.08 17.62 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.9 p -95.74 -41.97 8.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.87 -41.88 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 2.7 tttt -67.18 -42.15 84.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.76 -66.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 1.2 t80 -50.9 -53.39 33.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.33 -33.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.43 ' CA ' ' CG2' ' A' ' 32' ' ' VAL . . . -79.0 -44.01 10.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.55 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -62.02 -29.63 70.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD13 ' CE2' ' A' ' 66' ' ' PHE . 78.3 mt -66.77 -66.36 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 33' ' ' PRO . 5.8 ptt85 -60.54 -19.94 58.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.563 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 4.8 mm-40 -54.18 -57.9 9.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.462 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -120.69 52.07 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 64.9 mt -155.5 -46.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.26 117.99 6.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.44 -18.84 54.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -72.23 -171.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.27 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 p -95.13 157.87 35.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 130' ' ' VAL . 18.4 Cg_endo -74.94 -18.92 18.48 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.478 1.778 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.43 -36.25 63.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.97 -36.62 23.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.64 -18.39 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.481 HD23 ' CA ' ' A' ' 127' ' ' GLN . 9.1 mt -93.95 -39.65 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.62 -10.57 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.459 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 28.3 t -77.71 127.98 80.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.06 168.46 24.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -4.53 15.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -136.99 55.18 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 6.6 p90 -80.56 -14.72 57.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.789 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.509 ' CE1' HD22 ' A' ' 116' ' ' LEU . 52.6 p90 -88.93 -16.04 32.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -53.09 127.21 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.82 76.89 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.559 ' CE2' HD11 ' A' ' 10' ' ' LEU . 6.1 m-85 -167.36 -49.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.781 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.84 -53.05 0.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.57 -47.45 63.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.05 -34.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.32 -60.04 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -41.41 -68.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -69.12 143.37 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.9 p -64.82 161.26 47.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -7.3 19.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.93 -65.33 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 118' ' ' GLY . 16.8 mtt180 -52.41 -40.69 62.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.509 HD22 ' CE1' ' A' ' 102' ' ' TYR . 9.0 mt -44.62 -41.72 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -52.93 -42.37 65.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -69.02 -28.49 72.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.59 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 33.4 mt -66.32 -53.24 38.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 0.802 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.88 -46.92 64.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.445 ' CB ' ' CB ' ' A' ' 46' ' ' GLU . . . -46.27 -35.2 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 125' ' ' ARG . . . -56.76 -73.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.489 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 1.6 tm? -42.26 -53.23 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.5 mt -42.8 -54.36 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 122' ' ' ALA . 18.6 mtt-85 -50.82 -71.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.513 ' CD1' HG13 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -38.18 -63.88 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.489 ' HG3' ' CD2' ' A' ' 123' ' ' LEU . 31.6 mt-30 -39.98 -42.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -68.16 -43.13 78.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 126' ' ' LEU . 91.9 mt-30 -66.72 -56.04 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 91' ' ' PRO . 97.2 t -43.29 -48.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 134' ' ' LEU . 10.7 mtt-85 -41.62 -48.57 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -64.66 -39.05 93.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -68.16 -30.59 69.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.536 ' CD1' ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -83.28 -50.48 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 131' ' ' ARG . 13.0 t -86.82 20.96 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 132' ' ' LYS . 12.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.496 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 21.7 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.03 176.21 10.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLN . 18.2 Cg_endo -74.99 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' O ' ' OE2' ' A' ' 84' ' ' GLU . 2.8 mttt -50.55 -42.05 54.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -75.74 -62.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -29.14 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' PRO . 16.8 mt-30 -65.82 -50.86 63.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' CB ' ' CD ' ' A' ' 84' ' ' GLU . . . -57.34 -53.11 61.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 53.2 mt -50.61 -70.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -48.33 -49.11 35.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' LEU . 41.4 tp -55.17 -47.23 75.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 1.5 t80 -51.96 -61.99 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -60.02 -15.71 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -94.12 -17.98 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' LEU . 34.0 mt -81.06 158.37 70.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.4 Cg_endo -74.98 136.23 20.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.0 OUTLIER -36.04 -69.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.2 pt-20 -35.96 -44.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 14.4 mt -74.18 -49.15 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' LYS . 31.1 mtt180 -38.23 -30.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.4 t -66.28 -52.54 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' LEU . 6.0 pt20 -61.92 -37.74 85.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.401 HG12 ' CE2' ' A' ' 28' ' ' TYR . 70.1 t -45.44 -46.81 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.572 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 86.0 mt -63.55 -48.33 77.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.48 -56.21 24.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 28' ' ' TYR . 2.1 mt-10 -41.97 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' LYS . 11.1 m-85 -35.65 -62.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.14 -57.57 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.77 -27.95 8.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -92.23 36.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.51 ' CG2' ' CA ' ' A' ' 80' ' ' GLY . 39.9 t -138.07 92.19 12.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.54 41.99 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.569 1.826 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.61 41.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.449 ' HB2' HG12 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 160.68 39.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.523 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.01 170.35 20.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.19 20.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.37 55.42 0.76 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 36' ' ' PRO . 3.4 p -161.06 150.47 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -126.27 112.61 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -80.92 168.11 19.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.377 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 125' ' ' ARG . 29.5 tt0 -115.71 100.54 8.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' NH1' ' CE1' ' A' ' 45' ' ' HIS . 8.3 ttp85 -49.35 127.55 15.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.8 t -90.03 100.8 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.429 ' CE1' ' NH1' ' A' ' 43' ' ' ARG . 14.6 m-70 -62.5 -37.25 85.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -37.96 17.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.64 114.39 26.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -39.52 -57.38 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -59.36 155.11 38.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 70.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -91.75 105.4 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.517 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 5.2 m-85 -96.2 140.68 30.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 ' HB ' ' CD2' ' A' ' 126' ' ' LEU . 17.2 m -136.13 160.81 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.502 ' HB3' ' CB ' ' A' ' 65' ' ' TYR . 69.8 t60 -158.2 128.26 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' HB2' ' CG2' ' A' ' 130' ' ' VAL . . . -127.31 128.05 45.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -130.16 176.0 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.3 t -132.94 100.36 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -96.66 101.66 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.54 -89.57 1.54 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.59 7.33 3.05 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -111.77 174.25 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.508 ' CG1' ' C ' ' A' ' 90' ' ' SER . 0.6 OUTLIER -109.87 125.17 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -87.18 122.46 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.501 ' CD2' ' HA ' ' A' ' 83' ' ' ARG . 4.7 mp -97.27 130.79 44.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.502 ' CB ' ' HB3' ' A' ' 54' ' ' HIS . 22.4 m-85 -142.42 119.89 11.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' O ' ' HD3' ' A' ' 35' ' ' PRO . 62.4 m-85 -124.53 126.3 45.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.457 ' ND1' ' C ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -110.76 123.53 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.1 t -133.95 112.82 12.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -63.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -33.22 72.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.04 67.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 76' ' ' LYS . . . -86.18 132.68 42.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -5.65 17.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.39 -39.87 9.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.1 t -81.5 -42.57 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 32' ' ' VAL . 19.0 tttt -63.74 -38.11 89.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.33 -68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -45.92 -52.07 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.9 -47.44 8.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.51 ' CA ' ' CG2' ' A' ' 32' ' ' VAL . . . -66.75 -44.66 88.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -59.03 -24.09 62.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.603 ' CD2' ' CZ ' ' A' ' 101' ' ' PHE . 42.3 mt -82.5 -45.76 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.501 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 4.5 ttt180 -74.09 -20.64 60.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -58.0 -38.46 76.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.453 ' O ' ' HG ' ' A' ' 86' ' ' LEU . . . -133.2 55.66 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.514 ' CG ' ' O ' ' A' ' 82' ' ' LEU . 93.2 mt -156.39 -43.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.492 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 7.4 tp10 -46.5 115.73 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 89' ' ' GLU . . . 95.01 -27.91 13.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.471 ' CG ' ' HA ' ' A' ' 86' ' ' LEU . 6.6 mm-40 -49.51 -177.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.508 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 2.0 p -100.76 161.52 23.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.06 -7.56 19.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.95 -38.47 16.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.75 -36.72 21.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.434 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 54.6 t -68.05 -17.18 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.483 HD22 ' CA ' ' A' ' 127' ' ' GLN . 8.4 mt -94.1 -43.76 8.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -58.45 -18.01 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.94 121.88 65.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 160.81 39.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.494 ' HB3' ' CD2' ' A' ' 124' ' ' LEU . 18.3 Cg_endo -74.97 -2.13 12.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -125.58 33.55 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CZ ' ' CD2' ' A' ' 82' ' ' LEU . 22.2 p90 -65.01 -15.27 62.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.58 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 38.3 p90 -96.81 -26.81 14.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.92 126.16 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 72.16 77.65 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 6.5 m-85 -171.74 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 109' ' ' GLU . . . 153.27 -36.39 0.76 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.584 ' CD1' ' CE2' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -39.31 -61.0 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -50.67 -39.93 52.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 106' ' ' GLY . 1.6 tt0 -57.02 -36.61 70.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -90.98 -45.17 8.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.572 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 62.7 m-85 -95.89 123.3 39.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.424 ' OG1' ' HD2' ' A' ' 113' ' ' PRO . 0.0 OUTLIER -50.58 155.58 1.82 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.424 ' HD2' ' OG1' ' A' ' 112' ' ' THR . 18.2 Cg_endo -74.97 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.97 -43.98 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -68.43 -38.5 81.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.58 ' CD1' ' CE2' ' A' ' 102' ' ' TYR . 3.7 mm? -55.11 -50.01 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' LEU . 14.9 mtt180 -38.04 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' LEU . . . -91.71 -56.05 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.552 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 2.0 mp -38.85 -43.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 123' ' ' LEU . 36.4 mt-10 -55.52 -56.22 22.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -38.67 -35.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -52.28 -56.47 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 120' ' ' GLU . 13.7 tp -59.84 -61.18 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.494 ' CD2' ' HB3' ' A' ' 99' ' ' PRO . 1.4 mm? -45.47 -51.35 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 42' ' ' GLU . 26.8 mtt-85 -53.87 -64.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' A' ' 53' ' ' VAL . 5.5 mt -48.41 -49.61 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.483 ' CA ' HD22 ' A' ' 95' ' ' LEU . 78.5 mt-30 -55.82 -28.35 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.83 -25.49 35.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -77.77 -36.58 50.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 133' ' ' ALA . 99.3 t -65.63 -45.41 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -47.59 -25.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -81.84 -37.17 27.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -66.67 -36.29 82.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.32 -45.08 80.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.0 t -76.61 -0.3 22.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 39.1 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.486 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.98 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.94 -56.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' PRO . 11.3 mmmt -38.2 -32.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -88.42 -62.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -43.23 -31.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -44.6 60.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -64.53 -58.72 5.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 105' ' ' TYR . 46.2 mt -47.55 -56.27 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -58.7 -64.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' LEU . 44.0 tp -44.08 -55.61 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -48.05 -63.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -49.42 -25.7 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -37.91 21.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' LEU . 26.2 mt -51.43 156.6 2.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.03 134.26 17.54 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.2 ptmt -34.1 -67.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -35.4 -53.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 36.6 mt -65.86 -43.5 88.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.492 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 1.2 mtm105 -49.2 -21.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -31.58 23.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.514 ' CG ' ' N ' ' A' ' 24' ' ' VAL . 1.2 pt20 -79.09 -48.44 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.514 ' N ' ' CG ' ' A' ' 23' ' ' GLN . 4.0 p -49.17 -54.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.1 mt -45.99 -37.36 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.81 -48.06 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' ALA . 3.6 mt-10 -48.54 -59.62 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 84' ' ' GLU . 7.6 m-30 -38.69 -65.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -50.48 -32.05 17.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -66.77 -36.02 81.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.497 ' NZ ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -76.57 -36.93 57.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' LYS . 55.1 t -39.58 99.05 0.19 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 156.18 43.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.42 41.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.09 42.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.82 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.98 167.41 27.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.46 4.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . 125.84 -59.15 0.66 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 36' ' ' PRO . 6.6 p -39.18 136.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.78 120.57 42.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -92.79 144.36 25.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -106.58 121.96 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.419 ' NH1' ' CE1' ' A' ' 45' ' ' HIS . 18.8 ttp85 -62.04 138.35 58.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' PHE . 46.8 t -96.41 91.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.419 ' CE1' ' NH1' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -50.91 -42.24 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.628 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -42.51 -33.26 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.25 133.8 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.04 -41.61 75.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.5 p -76.6 156.25 83.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.394 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 74.48 4.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.557 1.819 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -88.09 116.97 26.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 8.9 m-85 -107.2 151.5 25.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.579 HG23 ' CD1' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -159.96 171.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -165.4 123.8 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.99 139.96 44.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -149.21 172.2 15.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.7 t -125.35 111.65 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.94 124.63 26.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.96 35.81 90.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.62 6.67 51.14 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -107.62 177.71 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.477 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 21.5 t -111.25 115.87 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -82.92 105.42 13.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 62' ' ' VAL . 5.8 mp -92.48 136.05 33.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 58.4 m-85 -139.77 119.7 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.579 ' CD1' HG23 ' A' ' 53' ' ' VAL . 74.3 m-85 -123.81 149.77 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -149.59 115.85 5.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.632 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.8 t -120.68 116.98 31.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.05 -67.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -26.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 69' ' ' PRO . 3.9 mt-10 70.6 31.57 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.93 129.85 85.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.453 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.05 -6.09 17.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.5 p -96.61 -39.31 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.413 HG11 ' CD2' ' A' ' 51' ' ' PHE . 38.2 t -80.15 -39.84 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 6.9 tttt -71.21 -48.83 49.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 73' ' ' PRO . . . -40.87 -63.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CD2' ' HG ' ' A' ' 119' ' ' LEU . 8.7 t80 -51.36 -52.07 48.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.41 -42.1 6.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.08 -28.46 71.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 78' ' ' PHE . 1.3 tm? -66.51 -41.24 89.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 2.9 mm? -59.8 -53.66 55.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -16.66 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 28' ' ' TYR . 4.0 mm-40 -73.81 -22.76 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.512 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -145.53 41.53 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 54.5 mt -154.87 -45.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 6.9 tt0 -52.85 116.28 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.55 3.39 71.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 76.2 mm-40 -87.8 178.06 6.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.425 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 2.0 p -89.31 160.21 42.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.949 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.52 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -7.99 19.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.25 -35.95 12.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.97 -32.89 59.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 t -70.21 -42.95 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 91' ' ' PRO . 4.3 mm? -61.82 -29.03 69.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.34 -42.28 96.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.456 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 20.1 t -52.69 107.35 0.82 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.507 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.97 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.451 1.763 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.9 10.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -127.79 32.43 3.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.52 ' CD2' HD12 ' A' ' 6' ' ' LEU . 14.1 p90 -75.86 -14.28 60.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE2' ' CD ' ' A' ' 120' ' ' GLU . 39.8 p90 -89.77 -31.45 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -45.15 130.75 7.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.55 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 70.31 77.52 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.578 ' CE2' HD11 ' A' ' 10' ' ' LEU . 4.1 m-85 -174.78 -47.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.38 -39.68 0.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 10' ' ' LEU . 1.4 mt -49.47 -36.27 22.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -52.32 -61.24 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.78 -59.92 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -40.37 -71.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -80.72 120.69 24.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.8 p -51.03 163.84 0.48 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.441 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.69 17.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.46 -51.9 5.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -32.88 70.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.7 mt -52.13 -48.25 64.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -39.85 -58.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.18 -48.56 82.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.577 ' HG ' ' CD2' ' A' ' 78' ' ' PHE . 1.5 mp -46.98 -48.08 21.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.433 ' CD ' ' CE2' ' A' ' 102' ' ' TYR . 31.1 mm-40 -59.64 -46.35 89.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.462 ' HA ' ' CD1' ' A' ' 124' ' ' LEU . . . -41.01 -50.18 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 126' ' ' LEU . . . -41.51 -71.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 62.2 tp -40.92 -50.38 3.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 7.8 mt -53.11 -44.36 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 122' ' ' ALA . 10.8 mmp_? -60.44 -69.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.516 HD13 ' CG1' ' A' ' 53' ' ' VAL . 0.6 OUTLIER -39.56 -64.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 95' ' ' LEU . 50.2 mt-30 -41.65 -43.27 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.41 98.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 126' ' ' LEU . 7.9 mt-30 -74.64 -60.35 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 129' ' ' GLN . 59.2 t -38.52 -49.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 8.8 mtp180 -46.05 -61.5 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -49.66 -37.22 27.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.439 ' N ' ' HD3' ' A' ' 132' ' ' LYS . . . -66.69 -32.67 74.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -82.49 -46.97 12.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.491 ' CG2' HD11 ' A' ' 134' ' ' LEU . 1.9 p -79.65 48.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.518 ' CG2' ' HD2' ' A' ' 7' ' ' LYS . 2.6 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 173.75 13.95 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.06 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -38.66 -31.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' PRO . 18.2 tp -88.58 -67.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 11.1 tptt -39.43 -32.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -76.39 -56.78 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.56 -46.35 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.621 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 32.7 mt -66.14 -64.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -41.34 -39.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' LEU . 55.1 tp -70.35 -43.54 69.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CE1' HG13 ' A' ' 24' ' ' VAL . 62.9 t80 -51.02 -47.49 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -62.24 -43.9 97.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 t -68.18 -30.69 69.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' LEU . 14.8 mt -58.77 151.98 50.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.0 139.24 24.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' ARG . 49.6 tttt -34.95 -68.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -34.16 -54.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' GLN . 13.6 mt -65.64 -44.89 85.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 11.9 mtt180 -48.22 -22.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -87.15 -32.5 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.028 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.5 mm100 -76.91 -48.83 17.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.582 ' CG1' ' HA ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -44.03 -58.63 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.521 HD21 ' CE2' ' A' ' 111' ' ' PHE . 77.5 mt -42.57 -44.11 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.43 -49.26 56.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.8 mt-10 -45.71 -55.23 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.584 ' CE1' ' HG3' ' A' ' 84' ' ' GLU . 14.5 m-85 -41.16 -53.7 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.83 -38.15 64.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -68.7 -26.08 65.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.3 43.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.511 ' CG2' ' CA ' ' A' ' 80' ' ' GLY . 75.8 t -133.94 97.79 15.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.04 166.22 29.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.91 42.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 160.46 40.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -75.0 162.78 36.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 3.05 5.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.09 66.12 0.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.522 ' CG1' ' HD2' ' A' ' 36' ' ' PRO . 10.7 p -157.99 134.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.55 115.99 31.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.22 146.71 24.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -105.31 142.51 34.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.456 ' NH2' ' O ' ' A' ' 47' ' ' CYS . 1.9 tpt180 -76.62 128.64 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.7 t -95.76 88.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.442 ' HA ' ' NH2' ' A' ' 43' ' ' ARG . 25.4 m-70 -55.18 -36.1 65.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.541 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -42.4 63.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.456 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -77.95 114.39 16.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.334 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -39.14 -44.58 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.3 p -81.66 159.74 65.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 77.02 3.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -89.25 142.18 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -131.7 134.67 46.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.562 HG23 ' CD1' ' A' ' 66' ' ' PHE . 2.9 p -146.7 161.62 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.465 ' CD2' HG21 ' A' ' 39' ' ' VAL . 86.6 t60 -145.68 131.29 18.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.31 134.32 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 63' ' ' ARG . 23.5 m-20 -164.48 166.75 20.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.624 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -136.0 127.79 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.33 101.79 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.13 -82.22 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.79 20.54 0.69 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 23.9 mttt -137.06 150.35 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.466 ' CG1' ' C ' ' A' ' 90' ' ' SER . 0.8 OUTLIER -97.57 126.59 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.539 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -94.32 114.88 27.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' CD1' ' CB ' ' A' ' 86' ' ' LEU . 16.7 mt -97.51 141.49 30.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 87.7 m-85 -142.81 128.87 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CD1' HG23 ' A' ' 53' ' ' VAL . 85.3 m-85 -125.1 159.31 31.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -155.0 120.51 5.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.0 t -126.72 114.65 22.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.99 -66.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.768 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -46.76 -26.56 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 69' ' ' PRO . 3.0 mt-10 67.56 53.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.7 133.26 62.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.81 14.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.534 1.807 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 p -86.01 -25.58 25.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.3 t -88.27 -48.44 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -63.31 -44.61 94.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.7 -60.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 15.2 t80 -52.49 -51.29 60.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.07 -52.18 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.511 ' CA ' ' CG2' ' A' ' 32' ' ' VAL . . . -63.86 -30.6 78.18 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.573 ' HB2' ' CD2' ' A' ' 28' ' ' TYR . 1.5 tp -76.39 -27.62 56.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 78' ' ' PHE . 97.2 mt -74.46 -48.1 29.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -74.67 -18.57 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.584 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 3.2 mm-40 -55.91 -40.66 73.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -130.17 49.04 0.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.503 ' CB ' ' CD1' ' A' ' 64' ' ' LEU . 79.0 mt -154.62 -44.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 113.33 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.94 28.1 32.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 62' ' ' VAL . 77.6 mm-40 -104.94 -173.91 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.466 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 11.2 p -94.02 158.01 36.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -10.18 21.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.76 -35.96 12.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.93 -35.55 57.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 40.9 t -72.05 -17.17 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.454 ' HA ' ' NE2' ' A' ' 127' ' ' GLN . 11.1 mt -94.49 -28.59 15.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.57 -6.16 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.513 ' CG1' HG13 ' A' ' 2' ' ' VAL . 3.3 t -83.07 117.28 68.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 174.76 12.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.94 14.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.02 54.09 0.71 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 3.4 p90 -83.0 -8.67 59.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.558 ' CE2' HD22 ' A' ' 116' ' ' LEU . 42.2 p90 -103.66 -45.24 4.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.528 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 67.2 mtp180 -35.38 121.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' TYR . . . 129.8 -73.49 0.46 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 37.8 m-85 -36.91 -64.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 0.731 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.83 62.76 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -101.18 -26.51 13.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.02 -43.11 99.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -44.97 -30.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -99.78 -49.58 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.521 ' CE2' HD21 ' A' ' 25' ' ' LEU . 27.6 m-85 -91.77 118.04 30.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 p -46.85 158.41 0.42 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -8.9 20.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -91.61 -60.99 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -51.98 -37.22 52.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' A' ' 102' ' ' TYR . 6.0 mt -47.56 -52.19 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -38.73 -45.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -67.47 -55.69 14.31 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 90.4 mt -42.41 -61.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 123' ' ' LEU . 36.1 mt-10 -46.65 -59.17 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -34.68 -47.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.76 -54.26 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' GLU . 6.5 tp -60.73 -48.86 79.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.465 ' N ' HD21 ' A' ' 124' ' ' LEU . 2.1 mm? -51.75 -46.01 63.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 128' ' ' ALA . 8.8 mtt85 -63.48 -57.63 9.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.535 HD23 ' CG1' ' A' ' 53' ' ' VAL . 4.7 mt -49.18 -44.82 43.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 21.0 mt-30 -64.87 -25.43 67.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.8 -20.32 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -92.0 -34.19 14.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ALA . 75.3 t -59.97 -54.97 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -43.65 -28.71 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' SER . 22.6 mmmt -70.61 -41.54 72.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.624 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -58.27 -45.43 87.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.3 mp -47.57 -39.18 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.0 t -116.57 26.72 9.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' LYS . 5.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 45.7 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.5 Cg_endo -74.96 174.45 12.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.96 -59.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -40.73 -29.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -87.07 -66.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -43.74 -30.38 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -55.92 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.59 -51.45 69.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 105' ' ' TYR . 72.1 mt -54.75 -53.49 54.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.79 -51.84 68.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 16' ' ' LEU . 43.4 tp -55.23 -48.52 73.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CZ ' HD22 ' A' ' 25' ' ' LEU . 45.8 t80 -54.4 -58.78 6.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -60.41 -19.07 54.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.1 t -86.7 -30.89 21.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 28.7 mt -70.13 158.52 87.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.4 Cg_endo -74.98 136.27 20.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' PRO . 2.1 ttmm -36.13 -69.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 6.8 pt-20 -35.36 -44.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 13.2 mt -72.74 -51.31 19.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' LYS . 14.5 mtt180 -37.17 -34.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -54.16 49.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.2 pt20 -65.71 -39.47 91.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.0 t -48.29 -62.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.559 HD22 ' CZ ' ' A' ' 13' ' ' PHE . 24.1 mt -45.62 -39.7 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.0 mm? -68.25 -51.56 43.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.8 mt-10 -47.47 -50.48 23.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.1 m-85 -43.83 -55.49 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -55.72 -32.8 63.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -67.57 -25.23 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.32 39.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.3 100.63 35.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.81 42.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 155.58 43.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 160.24 40.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 147.29 33.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.76 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 58.48 4.93 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.18 39.26 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 69.9 t -143.96 135.12 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.423 0.719 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -95.57 123.16 38.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mp -109.66 152.07 26.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.58 124.94 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 23.2 ttp180 -63.74 147.77 50.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.9 t -98.89 91.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -24.59 64.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -29.38 69.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.435 ' C ' ' CG ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -102.18 -16.57 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.435 ' CG ' ' C ' ' A' ' 47' ' ' CYS . 1.5 mt-30 76.64 -59.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.0 p -41.37 160.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 63.48 6.04 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -108.65 105.11 14.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 43' ' ' ARG . 2.1 m-85 -105.13 132.47 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.5 m -128.57 157.59 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.405 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 83.1 t60 -149.58 115.52 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.457 ' CB ' HD23 ' A' ' 126' ' ' LEU . . . -105.77 130.29 53.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 22.8 m-20 -156.88 164.63 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.559 HG12 ' CB ' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -135.73 123.73 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.91 111.55 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.61 -82.54 1.58 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.93 22.38 0.6 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -136.98 152.32 50.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 89' ' ' GLU . 59.0 t -91.85 146.7 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.578 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 2.3 mmt180 -119.25 102.55 8.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 83' ' ' ARG . 9.0 mt -81.71 138.04 35.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 66.7 m-85 -141.18 120.02 12.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -124.06 138.81 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -132.07 111.61 11.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.574 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.472 HG12 ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -138.57 111.73 8.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.01 -65.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' PRO . 35.4 t70 -37.42 -31.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' PRO . 2.8 mt-10 69.68 30.73 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.4 124.14 31.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -8.19 19.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -96.46 -25.17 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.2 t -94.1 -38.34 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.472 ' HG3' HG12 ' A' ' 68' ' ' VAL . 2.7 tttt -72.08 -40.9 67.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.06 -51.21 1.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.535 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.5 t80 -64.04 -53.69 45.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 78' ' ' PHE . . . -40.12 -49.42 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -63.31 -34.74 90.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' PHE . 2.1 tp -63.65 -37.21 86.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 3.2 mm? -69.16 -56.95 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.476 ' HG3' ' CB ' ' A' ' 87' ' ' GLU . 58.8 ttt-85 -63.82 -24.33 67.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -48.56 -45.99 38.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -143.27 61.07 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 56.1 mt -156.1 -45.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.77 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -58.7 125.17 22.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.02 -21.87 34.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 18.5 mm-40 -71.2 173.01 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.504 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.7 m -80.88 158.9 69.87 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.513 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 18.5 Cg_endo -75.01 -9.7 20.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.77 -35.45 17.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.99 -32.21 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.513 ' CG2' ' HA ' ' A' ' 91' ' ' PRO . 13.0 m -68.05 -47.95 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.49 ' CD1' HD22 ' A' ' 134' ' ' LEU . 2.7 mt -59.22 -34.16 71.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -58.13 -23.3 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.431 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 50.9 t -69.72 113.43 17.24 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 167.2 27.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.25 12.28 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.81 24.84 5.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -63.62 -28.93 70.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 103' ' ' ARG . 37.6 p90 -78.85 -41.04 31.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -48.94 127.46 14.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.55 -46.18 1.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.568 1.168 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 10' ' ' LEU . 82.4 m-85 -78.17 50.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 105' ' ' TYR . . . 30.95 54.32 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 102' ' ' TYR . 3.5 mt -101.13 -40.73 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -63.41 -33.08 74.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.53 -24.1 2.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -105.01 -49.05 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 67.4 m-85 -87.31 125.09 34.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 p -57.55 162.86 4.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.443 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.19 19.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.14 -48.98 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -62.31 -40.63 96.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 108' ' ' GLU . 16.9 mt -53.46 -49.06 68.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -48.44 -32.4 7.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -86.23 -39.39 7.91 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.526 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 15.1 mt -59.55 -57.64 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.49 ' CD ' ' CE1' ' A' ' 102' ' ' TYR . 28.1 mm-40 -44.79 -43.91 8.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -42.33 -39.48 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.82 -60.69 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.86 -52.94 61.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.7 mt -50.04 -50.64 46.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 128' ' ' ALA . 23.3 mtt-85 -60.57 -65.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 55' ' ' ALA . 16.4 mt -44.33 -52.07 7.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 37.5 mt-30 -59.27 -33.76 71.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -69.29 -16.5 63.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -95.43 -23.53 17.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' CB ' ' A' ' 91' ' ' PRO . 94.3 t -76.75 -43.19 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.419 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 11.4 mtt180 -45.75 -25.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -86.47 -42.49 13.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.559 ' CB ' HG12 ' A' ' 57' ' ' VAL . . . -66.14 -33.38 75.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -69.23 -48.9 60.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.468 ' N ' ' CD1' ' A' ' 134' ' ' LEU . 5.5 t -79.45 -4.99 53.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 21.5 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.486 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 174.82 12.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.2 Cg_endo -75.06 -59.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -36.07 -35.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -87.01 -65.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.17 -31.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -57.39 13.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.9 -66.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 93.5 mt -42.28 -64.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -43.36 -49.1 7.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 16' ' ' LEU . 12.1 tp -62.21 -35.58 79.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 25' ' ' LEU . 5.8 t80 -59.69 -64.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -57.89 -18.71 24.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 t -85.34 -38.14 19.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' LEU . 28.8 mt -70.23 159.04 86.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -74.98 136.23 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' GLU . 7.7 tttp -34.83 -68.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -33.88 -57.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ARG . 14.7 mt -58.06 -57.41 12.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LEU . 13.7 mtt180 -36.58 -39.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -56.69 -55.25 36.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LEU . 4.4 pt20 -66.68 -37.94 85.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.429 HG13 ' CE1' ' A' ' 28' ' ' TYR . 74.0 t -49.47 -57.66 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 13' ' ' PHE . 39.6 mt -50.36 -42.04 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 73' ' ' PRO . 6.7 mt -61.42 -37.41 83.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.63 -44.97 80.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.429 ' CE1' HG13 ' A' ' 24' ' ' VAL . 3.5 m-85 -53.49 -24.24 12.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -89.02 -27.07 21.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.15 -19.49 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.59 -32.4 18.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.403 ' CG2' ' CA ' ' A' ' 80' ' ' GLY . 33.1 t -44.66 103.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.84 40.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.11 39.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.432 1.754 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.79 39.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 154.35 42.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.776 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.36 9.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.27 -21.58 21.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 5.9 t -76.5 133.53 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -99.13 133.19 43.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mp -117.97 147.08 43.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -100.62 145.35 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 16.5 ttp180 -80.96 146.58 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.407 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 64.9 t -100.58 90.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -53.87 -33.09 55.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.491 ' CB ' ' CB ' ' A' ' 121' ' ' ALA . 1.8 tp10 -54.65 -24.84 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.1 t -113.79 121.12 43.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -50.96 -48.46 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.9 p -58.89 155.84 29.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.79 4.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 3.9 t80 -97.24 114.26 25.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -104.08 144.57 31.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.038 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.58 ' CG2' HD21 ' A' ' 126' ' ' LEU . 2.1 m -144.38 163.83 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.456 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 63.5 t60 -165.35 123.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.648 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' CB ' HG23 ' A' ' 130' ' ' VAL . . . -116.47 138.84 51.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 63' ' ' ARG . 15.6 m-20 -164.56 171.76 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.612 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -135.98 122.01 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.66 108.93 19.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.07 -82.29 1.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.44 20.97 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.1 mtmm -136.24 152.31 50.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG2' ' C ' ' A' ' 90' ' ' SER . 5.6 t -86.52 155.22 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.548 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 10.7 mmt180 -132.05 114.84 15.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 HD11 ' N ' ' A' ' 87' ' ' GLU . 63.3 mt -98.35 151.34 20.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 76.3 m-85 -153.85 120.35 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -126.22 135.95 52.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -132.16 118.6 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.61 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.417 ' O ' HG21 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -138.6 116.34 9.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.469 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.03 -49.69 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.5 t0 -49.66 -17.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 13.5 pt-20 49.16 40.09 16.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 76' ' ' LYS . . . -62.97 127.79 91.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . 18.1 Cg_endo -74.98 -17.41 19.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.5 t -97.26 -16.83 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.7 t -94.37 -48.53 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -63.42 -43.46 97.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.1 -67.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 5.2 t80 -48.09 -56.6 7.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . . . -47.64 -56.22 7.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 84' ' ' GLU . . . -53.31 -33.1 45.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 5.0 tt -59.53 -53.03 62.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 2.7 mm? -52.17 -55.18 22.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.7 -12.12 59.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -67.29 -37.0 82.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.529 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -146.28 54.67 0.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 54.2 mt -156.4 -47.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 83' ' ' ARG . 1.3 tm-20 -55.08 115.62 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.24 -22.36 39.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 39.2 mm-40 -59.92 -172.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.502 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 1.4 m -87.43 161.18 46.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.402 ' O ' HD22 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -14.99 20.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -96.26 -36.49 10.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.64 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.481 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 2.7 t -68.7 -56.7 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 4.4 mm? -52.76 -33.29 47.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.67 -13.52 15.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.484 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 63.0 t -81.16 122.45 81.5 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.84 17.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HB3' ' CD1' ' A' ' 124' ' ' LEU . 18.1 Cg_endo -75.04 -10.34 21.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.37 58.96 0.68 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.536 ' CE1' HD13 ' A' ' 6' ' ' LEU . 8.8 p90 -88.18 -1.07 57.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 103' ' ' ARG . 41.4 p90 -112.28 -45.19 3.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.569 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 50.7 mtm180 -41.41 105.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.81 -70.03 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 82.9 m-85 -37.65 -68.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 156.81 58.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -101.04 -24.66 14.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.467 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 13.2 mt-10 -65.08 -49.94 68.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -40.67 -28.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.419 ' N ' ' C ' ' A' ' 108' ' ' GLU . 17.8 m-85 -103.88 -45.95 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -98.96 107.1 19.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.0 p -39.94 159.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.99 18.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.0 -63.06 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -54.03 -33.23 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 108' ' ' GLU . 10.3 mt -49.56 -50.65 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.17 -56.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.94 -48.25 82.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 12.7 mt -41.72 -44.73 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 121' ' ' ALA . 10.3 mt-10 -60.32 -51.94 67.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.491 ' CB ' ' CB ' ' A' ' 46' ' ' GLU . . . -34.71 -38.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 120' ' ' GLU . . . -51.17 -58.85 5.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 120' ' ' GLU . 0.7 OUTLIER -66.06 -55.9 14.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 99' ' ' PRO . 2.7 mm? -40.28 -43.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 128' ' ' ALA . 5.2 mtt-85 -71.7 -51.07 24.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.58 HD21 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -45.32 -51.33 11.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 3.8 mt-30 -59.45 -29.71 67.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.36 -15.33 55.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -92.19 -37.59 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 133' ' ' ALA . 53.2 t -71.57 -49.4 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.478 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 6.3 mtp180 -42.9 -30.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 135' ' ' THR . 8.9 mmmm -67.78 -45.4 74.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.612 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -54.02 -45.61 71.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.9 mp -46.48 -32.74 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 132' ' ' LYS . 8.9 t -102.66 -20.33 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.5 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 45.4 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.94 173.02 15.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.462 1.77 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.05 -55.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -37.66 -45.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' GLN . 25.1 tp -72.82 -66.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' LEU . 5.3 tptt -38.76 -30.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -80.54 -52.73 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -53.74 -38.77 64.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 69.3 mt -73.35 -61.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.9 -48.49 51.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' LEU . 48.2 tp -55.48 -46.65 76.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 14.7 t80 -52.86 -58.98 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -56.22 -21.23 22.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -92.19 -19.81 21.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' LEU . 30.4 mt -73.01 157.98 87.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.01 137.26 21.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 17' ' ' PRO . 17.2 tttt -34.53 -68.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' LYS . 9.5 tt0 -33.95 -49.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' GLN . 9.8 mp -71.98 -47.5 51.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' LYS . 25.5 mtt180 -37.54 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.9 -42.63 10.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.032 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.6 mm-40 -63.13 -49.65 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.1 t -48.94 -60.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 13' ' ' PHE . 64.6 mt -42.23 -44.66 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.0 -61.37 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' ALA . 2.7 mt-10 -44.07 -61.55 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE1' ' HG3' ' A' ' 84' ' ' GLU . 5.8 m-30 -37.31 -51.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -55.72 -46.58 77.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -67.95 -15.63 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -31.59 24.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG2' ' HA2' ' A' ' 80' ' ' GLY . 53.7 t -58.39 110.58 2.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HD3' ' NE ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.02 165.45 31.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.4 42.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.3 28.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.574 1.829 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.458 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.98 159.6 41.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 128.62 11.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.03 -28.68 10.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 18.7 t -67.25 123.73 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -94.8 112.71 24.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.07 142.42 29.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 1.6 tp10 -99.27 144.77 28.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 8.5 ttp-105 -80.34 145.31 32.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 89.8 t -103.59 93.46 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -61.93 -33.73 74.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.6 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' CB ' ' HB1' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -50.9 -39.64 54.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.9 t -88.03 150.24 23.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.49 29.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.422 HG21 ' NH2' ' A' ' 115' ' ' ARG . 47.2 p -136.92 155.66 76.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.604 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.99 60.77 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.611 ' CD1' ' CG1' ' A' ' 75' ' ' VAL . 11.4 t80 -90.81 153.34 20.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' A' ' 50' ' ' PRO . 14.8 m-85 -150.89 134.74 16.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.596 HG23 ' CE1' ' A' ' 66' ' ' PHE . 9.3 p -135.22 154.76 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.44 ' C ' ' CD2' ' A' ' 54' ' ' HIS . 1.9 t-160 -151.59 125.82 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.407 ' CB ' HG22 ' A' ' 130' ' ' VAL . . . -115.59 140.65 48.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -148.61 167.33 25.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 59.4 t -113.97 100.5 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -101.45 102.88 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.3 -78.43 2.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.64 25.47 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 14.0 mttt -133.59 176.99 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 89' ' ' GLU . 62.7 t -109.84 114.18 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 22.1 mmt180 -86.02 117.19 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 28.9 mt -97.2 141.44 30.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 63' ' ' ARG . 31.3 m-85 -146.96 120.15 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.596 ' CE1' HG23 ' A' ' 53' ' ' VAL . 85.7 m-85 -119.75 161.15 21.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -146.02 115.96 7.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.501 ' CG2' ' HD2' ' A' ' 76' ' ' LYS . 78.9 t -124.46 99.9 35.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.99 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.96 -14.12 3.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.45 ' CA ' HG13 ' A' ' 68' ' ' VAL . 1.8 mt-10 73.16 18.2 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' LYS . . . -50.34 120.1 11.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 76' ' ' LYS . 18.4 Cg_endo -74.99 -50.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.5 p -43.9 -30.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.611 ' CG1' ' CD1' ' A' ' 51' ' ' PHE . 81.5 t -93.59 -32.01 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HD2' ' CG2' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -63.1 -60.56 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -38.75 -63.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 4.5 t80 -46.06 -59.24 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . . . -46.69 -40.27 12.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.464 ' HA2' ' CG2' ' A' ' 32' ' ' VAL . . . -72.77 -25.85 72.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 78' ' ' PHE . 4.5 tp -75.85 -46.97 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.467 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -59.43 -36.27 75.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -81.24 -11.08 59.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.547 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 4.6 mm-40 -95.36 -2.85 48.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.403 ' HA2' ' C ' ' A' ' 5' ' ' LYS . . . -130.68 -33.89 0.46 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.662 ' CD2' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -94.58 -65.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.624 ' C ' ' O ' ' A' ' 86' ' ' LEU . 2.3 tm-20 -16.92 112.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.38 14.27 64.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' LEU . 35.9 mm-40 -98.96 165.28 11.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 110.358 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 p -78.65 161.33 69.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 130' ' ' VAL . 18.3 Cg_endo -75.03 -7.59 19.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -35.21 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.12 -30.72 60.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 86' ' ' LEU . 12.1 t -71.13 -41.63 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 4.4 mm? -66.59 -32.63 74.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.21 -8.34 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.51 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 59.0 t -86.86 120.26 71.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 173.0 15.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.443 ' HB3' ' CD2' ' A' ' 124' ' ' LEU . 18.1 Cg_endo -74.99 0.35 9.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.799 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -140.46 48.78 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 12.4 p90 -69.84 -28.96 66.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 51.7 p90 -77.79 -25.65 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -39.53 124.18 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 75.45 77.45 0.71 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.4 m-85 -172.16 -51.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 161.47 -44.24 0.39 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.691 ' CD1' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -43.77 -47.27 7.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.803 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -51.41 14.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -71.09 -59.34 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -41.47 -65.26 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -78.51 141.1 38.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -61.9 160.46 28.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.71 17.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.08 -55.51 3.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.422 ' NH2' HG21 ' A' ' 49' ' ' THR . 1.5 ttt180 -62.88 -37.19 85.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.8 mt -51.84 -47.0 64.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.9 mtt-85 -46.07 -42.69 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -71.47 -54.58 8.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.589 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -44.3 -40.79 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.83 -43.48 98.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 122' ' ' ALA . . . -54.29 -48.46 71.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 121' ' ' ALA . . . -38.65 -50.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 125' ' ' ARG . 1.1 tm? -65.7 -63.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 99' ' ' PRO . 12.3 mt -40.67 -29.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 123' ' ' LEU . 3.5 mmp_? -75.48 -60.34 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.541 ' CD2' ' CG2' ' A' ' 53' ' ' VAL . 16.1 mt -46.28 -55.12 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 14.7 mt-30 -45.56 -32.67 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.26 -42.76 59.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 126' ' ' LEU . 53.7 mt-30 -65.66 -56.2 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 91' ' ' PRO . 13.3 t -49.93 -61.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 1.6 mtt-85 -39.43 -30.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 133' ' ' ALA . 1.0 OUTLIER -68.27 -53.14 26.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 132' ' ' LYS . . . -47.52 -41.6 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 18.4 mt -46.46 -44.18 17.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 136' ' ' SER . 9.8 t -114.85 26.89 9.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 135' ' ' THR . 2.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 5.0 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.96 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 8' ' ' GLN . 18.3 Cg_endo -75.03 -49.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -50.13 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.496 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -67.81 -67.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -40.52 -31.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 4' ' ' PRO . 2.7 mt-30 -67.56 -59.24 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.78 -49.64 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 97.4 mt -63.03 -70.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -41.34 -43.33 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' LEU . 20.5 tp -65.57 -45.3 83.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 21' ' ' ARG . 40.9 t80 -51.46 -57.9 7.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -59.7 -15.11 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -8.51 20.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.992 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' LEU . 28.3 mt -83.4 160.74 58.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' LEU . 18.4 Cg_endo -75.05 139.05 23.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -38.1 -70.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.517 ' HG3' ' CD1' ' A' ' 20' ' ' LEU . 6.8 pt-20 -34.05 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.517 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 9.2 mp -85.05 -56.57 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -37.65 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.39 -44.9 9.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.3 pt20 -65.55 -39.44 91.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.235 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.542 HG11 ' CE1' ' A' ' 28' ' ' TYR . 50.0 t -54.91 -57.85 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.428 HD21 ' CD2' ' A' ' 107' ' ' LEU . 77.1 mt -42.21 -36.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -69.06 -54.72 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.7 OUTLIER -48.87 -51.62 28.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.8 m-30 -40.17 -55.66 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.429 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -57.96 -36.88 73.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -65.6 -25.59 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.2 32.62 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.0 t -125.85 98.02 34.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.25 40.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.43 42.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.85 41.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.01 39.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.946 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.62 11.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.39 -41.5 2.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.65 123.57 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.733 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.52 128.81 36.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mp -116.1 149.11 39.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.26 138.54 35.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -74.65 134.87 41.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.87 91.43 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -55.77 -49.39 73.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.14 -35.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 23.9 t -89.99 144.2 26.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -65.31 -59.07 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.7 p -65.84 160.7 60.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.94 74.9 3.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -89.19 106.81 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 23.1 m-85 -103.92 134.32 47.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.8 m -139.58 162.29 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -148.95 129.13 13.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HB3' ' CG2' ' A' ' 130' ' ' VAL . . . -118.14 139.53 51.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 63' ' ' ARG . 17.8 m-20 -165.34 167.03 18.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.6 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.8 OUTLIER -135.75 129.2 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -125.3 101.22 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.0 -81.41 0.56 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.32 21.47 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 13.9 mttm -139.43 151.02 45.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 0.724 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.485 HG21 ' CG2' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -98.75 127.78 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 4.1 mmm180 -91.51 126.25 36.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 1.3 mp -99.44 149.05 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 92.5 m-85 -152.59 124.88 8.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -130.22 151.72 50.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -140.31 115.15 9.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.659 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.22 109.16 33.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -69.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.51 -30.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 69.05 56.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.53 129.77 58.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -7.89 19.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -96.82 -25.73 15.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 t -92.83 -38.15 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 4.9 tttt -67.97 -38.67 83.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.81 -57.79 4.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 t80 -55.09 -49.4 71.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.91 -45.67 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.16 -28.84 73.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 78' ' ' PHE . 11.5 tp -68.16 -35.0 77.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.522 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 3.4 mm? -68.53 -52.73 28.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.5 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -72.9 -16.82 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.583 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 2.7 mm-40 -49.77 -54.11 21.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -126.97 51.66 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.522 ' CD1' ' O ' ' A' ' 82' ' ' LEU . 43.2 mt -151.64 -42.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 18.0 tp10 -46.32 110.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.31 34.73 35.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 72.6 mm-40 -108.17 178.49 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 p -77.27 157.15 81.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.063 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.54 21.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.791 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.57 -38.15 11.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.46 -26.1 65.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.485 ' CG2' HG21 ' A' ' 62' ' ' VAL . 2.9 t -78.0 -42.32 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.5 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 3.2 mm? -64.98 -34.95 79.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.91 -27.19 63.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.476 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 40.1 t -64.47 111.97 6.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.444 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.0 170.33 20.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.803 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -1.88 11.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.55 43.62 1.27 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -80.14 -3.87 50.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.565 ' CE2' HD11 ' A' ' 116' ' ' LEU . 35.3 p90 -108.2 -37.13 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.425 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 42.5 mtt180 -49.98 128.11 17.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 105' ' ' TYR . . . 118.17 -71.94 0.3 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 65.5 m-85 -35.36 -85.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 170.65 51.18 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 102' ' ' TYR . 4.2 mt -101.45 -46.04 5.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -55.13 -37.7 67.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.4 -31.03 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 21' ' ' ARG . 26.5 m-85 -96.41 -43.14 7.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.499 ' CB ' ' CD2' ' A' ' 116' ' ' LEU . 49.2 m-85 -104.08 123.19 46.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.4 p -46.68 159.74 0.35 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.38 16.9 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -76.58 -56.54 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -51.12 -41.7 60.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 102' ' ' TYR . 4.1 mm? -56.87 -50.72 71.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -42.73 -27.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -90.9 -41.57 5.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.486 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 15.4 mt -59.0 -48.4 81.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' CD ' ' CE1' ' A' ' 102' ' ' TYR . 32.8 mm-40 -48.64 -37.08 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.95 -37.76 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -51.42 -65.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 13.5 tp -48.59 -56.04 9.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.68 -48.49 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -58.93 -62.96 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 129' ' ' GLN . 1.5 mt -47.19 -48.77 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 15.2 mt-30 -50.37 -27.26 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.81 -31.72 31.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' LEU . 10.0 mt-30 -76.23 -29.77 57.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 133' ' ' ALA . 86.1 t -76.39 -60.8 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 8.6 mtt180 -41.01 -32.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -66.19 -46.9 75.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.6 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -51.77 -42.35 62.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.0 mp -52.24 -40.51 61.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.9 t -91.18 -15.77 28.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' LYS . 4.9 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 2.9 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.93 176.61 9.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 3' ' ' PRO . 18.3 Cg_endo -75.04 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 4.3 mmmt -39.34 -50.62 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -63.37 -69.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -41.28 -29.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' PRO . 2.4 mt-30 -75.18 -63.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.63 -31.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 78.8 mt -80.35 -53.19 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.15 -47.72 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.5 -41.34 76.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.579 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 7.6 t80 -57.59 -63.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -50.98 -27.08 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.24 -38.25 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 mt -69.87 157.57 89.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.5 Cg_endo -74.94 135.11 18.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 17' ' ' PRO . 2.4 tttm -34.09 -68.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.1 pm0 -35.21 -56.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.8 mt -60.83 -53.74 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 8.8 mtt180 -39.54 -58.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.28 -42.43 30.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.3 mm-40 -68.95 -35.1 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.559 HG13 ' CD1' ' A' ' 28' ' ' TYR . 3.1 t -63.15 -65.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.586 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 38.4 mt -39.06 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -68.36 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -52.01 -32.35 33.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD1' HG13 ' A' ' 24' ' ' VAL . 2.5 m-85 -57.8 -33.53 68.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' HB2' ' N ' ' A' ' 77' ' ' ALA . . . -82.97 -38.57 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.73 -17.65 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -86.11 -25.05 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.483 ' CG2' ' HA2' ' A' ' 80' ' ' GLY . 72.4 t -69.34 113.33 15.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.3 27.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.95 41.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.65 24.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.807 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.99 163.31 35.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.31 16.49 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.1 -29.58 10.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.562 HG12 ' CD2' ' A' ' 54' ' ' HIS . 69.2 t -65.5 120.71 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 4.1 tt0 -92.81 112.83 24.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 54' ' ' HIS . 1.2 mp -97.52 140.12 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.8 132.03 37.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 47' ' ' CYS . 2.2 tpt180 -68.06 128.48 36.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.8 t -94.56 88.24 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.426 ' HA ' ' NH2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -56.75 -45.12 82.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.568 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.83 -48.12 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 5.8 t -81.88 113.12 19.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -38.91 -34.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -84.58 152.39 60.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.377 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 75.23 3.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -96.24 107.41 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -98.07 138.37 35.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.23 148.57 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.562 ' CD2' HG12 ' A' ' 39' ' ' VAL . 83.1 t60 -134.85 105.66 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.457 ' CB ' HD23 ' A' ' 126' ' ' LEU . . . -103.25 132.8 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 63' ' ' ARG . 10.5 m-20 -157.17 165.85 34.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.57 HG12 ' CB ' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -134.26 126.1 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.36 102.32 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.21 -78.53 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.66 24.29 0.3 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.7 mttt -141.54 142.71 33.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -92.77 122.9 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -86.37 120.89 28.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.3 mt -91.14 138.62 31.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 64.2 m-85 -146.66 121.53 9.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 83.0 m-85 -125.0 145.68 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -134.25 120.41 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 46.3 t -129.51 111.72 17.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -61.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -50.7 -22.15 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 66.69 44.27 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.16 125.43 90.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.89 17.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.5 p -93.03 -44.92 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.8 t -73.51 -50.97 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -58.62 -43.36 89.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.418 ' N ' ' HB2' ' A' ' 29' ' ' ALA . . . -39.5 -67.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 3.2 t80 -41.6 -55.69 2.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.582 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . . . -43.09 -54.98 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 32' ' ' VAL . . . -53.15 -38.42 56.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' GLU . 5.4 tt -55.77 -61.72 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 1.4 mm? -39.7 -65.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 15.2 ttt180 -51.87 -32.96 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 33.7 mm-40 -74.56 -3.26 29.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 5' ' ' LYS . . . -124.37 -41.97 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.686 ' CD2' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -91.41 -69.67 0.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 0.748 . . . . 0.0 109.269 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.536 ' O ' ' O ' ' A' ' 86' ' ' LEU . 1.1 tt0 45.09 104.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.52 36.91 1.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.502 ' OE2' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -75.96 -169.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.8 p -89.27 157.01 48.28 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.09 20.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.32 -34.14 14.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.502 ' CB ' ' OE2' ' A' ' 89' ' ' GLU . . . -77.73 -32.34 52.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG2' HD12 ' A' ' 86' ' ' LEU . 70.6 t -75.98 -20.52 15.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 29.2 mt -93.44 -26.74 17.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -84.21 8.37 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 93' ' ' ALA . 47.2 t -94.89 120.44 64.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.32 40.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.27 10.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.9 20.64 10.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.567 ' CD2' HD13 ' A' ' 6' ' ' LEU . 25.3 p90 -61.41 -20.46 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -89.64 -2.73 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -77.49 161.58 27.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.544 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 59.42 66.86 2.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 21.9 m-85 -167.52 -94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 174.55 48.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.457 HD13 ' CD2' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -101.62 -54.12 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.47 -40.93 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.73 -40.27 27.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -91.44 -38.23 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.586 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 35.1 m-85 -101.47 104.78 15.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 40.0 p -40.83 161.63 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.417 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.36 20.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.789 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.28 -64.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -52.3 -29.47 23.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' ARG . 5.8 mt -54.79 -50.51 68.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -38.16 -43.5 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -66.51 -58.97 7.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -41.04 -59.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -48.79 -43.48 38.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.68 -39.85 52.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.88 -63.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.405 HD11 ' CG1' ' A' ' 97' ' ' VAL . 11.9 tp -48.96 -50.84 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.8 -54.99 30.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -54.56 17.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 129' ' ' GLN . 1.7 mt -57.15 -47.91 80.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.407 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 7.0 mt-30 -48.29 -30.42 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.53 -29.53 27.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' LEU . 96.1 mt-30 -79.45 -9.16 59.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.1 t -85.5 -62.26 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 7.1 mtt85 -48.51 -38.79 21.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.506 ' C ' ' CD ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -65.31 -42.22 93.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.57 ' CB ' HG12 ' A' ' 57' ' ' VAL . . . -57.08 -30.83 64.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.14 -44.4 84.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 t -98.21 17.04 19.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.513 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 47.0 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.513 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 173.9 13.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.552 1.817 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.01 -55.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.43 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 12.2 mttt -38.39 -42.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.536 ' HG ' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -72.63 -68.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -40.08 -29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 6' ' ' LEU . 2.9 mm-40 -79.56 -50.83 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.88 -37.22 76.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 41.8 mt -72.97 -66.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -47.41 -42.29 21.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.439 ' CB ' ' O ' ' A' ' 8' ' ' GLN . 55.6 tp -61.39 -52.04 66.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CE2' HD12 ' A' ' 107' ' ' LEU . 38.7 t80 -49.19 -60.63 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -60.42 -30.99 69.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.6 t -73.25 -25.27 60.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LEU . 37.4 mt -75.95 159.2 81.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.01 138.89 23.61 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' PRO . 6.0 tttt -35.0 -69.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -33.48 -56.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLN . 14.4 mt -61.99 -53.44 55.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 11.0 mtt180 -38.57 -49.34 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -51.16 -46.51 62.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -64.99 -44.0 90.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.48 ' CG1' ' CE2' ' A' ' 28' ' ' TYR . 84.1 t -46.59 -60.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.543 HD11 ' CD1' ' A' ' 110' ' ' PHE . 88.8 mt -42.78 -40.68 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.421 HD13 ' CB ' ' A' ' 73' ' ' PRO . 4.2 mm? -73.73 -53.95 9.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.79 -51.09 5.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.48 ' CE2' ' CG1' ' A' ' 24' ' ' VAL . 6.7 m-85 -49.1 -66.27 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.87 -24.98 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.18 -34.06 61.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' TYR . 8.6 mttt -80.48 -33.42 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.497 ' CG2' ' CA ' ' A' ' 80' ' ' GLY . 44.0 t -43.74 103.27 0.31 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.21 41.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 153.48 41.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.23 33.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.797 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.96 155.22 43.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.99 9.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.59 -3.37 36.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 3.2 t -92.77 132.75 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.436 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 13.8 tt0 -101.71 118.42 36.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 65' ' ' TYR . 2.3 mp -101.24 151.29 22.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -103.03 118.83 37.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.7 ttt-85 -67.85 140.29 56.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.483 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 59.2 t -91.74 90.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -50.5 -31.63 15.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -26.6 62.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.428 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -97.12 112.1 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.287 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.5 -20.96 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 p -91.17 164.49 24.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 94.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -124.72 113.0 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -113.75 113.01 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.4 m -109.14 165.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 62.1 t60 -158.93 133.86 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.623 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' CB ' HD23 ' A' ' 126' ' ' LEU . . . -129.03 128.19 43.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.442 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 14.2 m-20 -144.86 167.49 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 133' ' ' ALA . 47.6 t -113.64 105.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.39 101.68 13.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.51 -82.08 1.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.93 14.52 1.73 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -129.41 161.39 30.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.507 ' CG1' ' C ' ' A' ' 90' ' ' SER . 0.9 OUTLIER -98.03 126.13 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 10.9 mmt-85 -95.57 138.04 33.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 mt -121.79 144.3 48.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 57.4 m-85 -148.04 124.82 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -124.9 140.1 53.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -123.52 118.96 28.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.608 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.423 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 2.4 t -131.61 114.32 15.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -62.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -23.56 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.39 43.52 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.41 117.92 48.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.421 ' CB ' HD13 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.97 -5.55 16.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.8 p -91.46 -34.89 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 t -92.47 -45.17 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HE3' ' CG1' ' A' ' 32' ' ' VAL . 12.7 tttt -62.21 -42.58 99.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -38.82 -68.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 1.8 t80 -45.29 -50.17 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.6 -48.87 19.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.497 ' CA ' ' CG2' ' A' ' 32' ' ' VAL . . . -62.7 -30.3 76.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.43 -46.62 59.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.41 ' O ' HD22 ' A' ' 86' ' ' LEU . 3.1 mt -58.57 -36.37 73.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -79.08 -14.84 58.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -95.69 -0.17 51.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.43 ' HA2' ' C ' ' A' ' 5' ' ' LYS . . . -133.34 -37.21 0.25 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.657 ' CD2' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -96.85 -70.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 83' ' ' ARG . 10.5 tm-20 -30.63 114.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.85 0.39 57.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 86' ' ' LEU . 24.4 mm-40 -96.26 -172.77 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.507 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -92.4 161.05 33.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.488 ' HB2' ' CD2' ' A' ' 134' ' ' LEU . 18.3 Cg_endo -75.01 -12.78 21.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -94.34 -35.27 12.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.06 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.483 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 25.0 t -67.93 -55.84 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.443 ' CD2' HG11 ' A' ' 130' ' ' VAL . 3.5 mm? -50.37 -35.48 28.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.46 -13.42 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.463 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 46.7 t -84.52 114.02 52.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 173.83 13.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 124' ' ' LEU . 18.4 Cg_endo -74.96 0.76 8.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.96 40.53 1.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 4.8 p90 -74.5 -14.31 60.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -92.68 -20.74 20.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -46.77 133.94 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 67.81 76.42 0.41 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.8 m-85 -170.36 -50.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 108' ' ' GLU . . . 161.93 -46.07 0.36 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.577 HD12 ' CE2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -38.9 -31.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -66.17 -54.51 24.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -79.84 -11.4 59.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.543 ' CD1' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -86.96 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -91.15 129.73 37.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 33.1 p -39.21 159.03 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.05 20.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.83 -57.58 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -19.26 25.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.29 -48.57 64.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -39.26 -42.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -63.19 -49.56 70.15 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.7 mp -50.61 -35.94 32.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 0.802 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -65.84 -66.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.489 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -32.51 -49.59 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.31 -57.45 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.49 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 1.2 tm? -61.72 -52.96 62.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.581 ' CD1' ' HB3' ' A' ' 99' ' ' PRO . 10.5 mp -41.64 -58.22 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -53.48 -64.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 55' ' ' ALA . 25.2 mt -41.99 -53.81 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.49 ' HG3' ' CD2' ' A' ' 123' ' ' LEU . 4.9 mt-30 -55.79 -35.11 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.59 -11.46 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -98.35 -32.67 11.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 133' ' ' ALA . 55.4 t -69.27 -45.21 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.66 -33.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -49.31 33.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -50.99 -26.12 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 91' ' ' PRO . 25.8 mt -58.0 -27.85 63.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.0 t -89.69 -3.15 58.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 55.0 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.97 173.66 14.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.407 ' C ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.95 -58.3 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -31.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -85.48 -67.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -43.84 -28.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 6' ' ' LEU . 5.0 mm100 -66.48 -52.66 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.76 -52.27 65.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 81.5 mt -57.09 -56.31 23.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.04 -54.29 44.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.11 -48.64 61.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 14.4 t80 -50.24 -62.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -56.45 -25.3 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -77.82 -34.98 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.2 mt -73.62 159.18 85.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.469 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -74.96 136.63 20.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -34.77 -69.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.8 pm0 -34.9 -57.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLN . 15.5 mt -59.5 -55.07 39.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' LEU . 10.6 mtt180 -37.59 -56.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -43.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.7 mm-40 -69.14 -44.48 72.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.55 HG12 ' CE1' ' A' ' 28' ' ' TYR . 79.5 t -48.05 -64.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.517 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 74.5 mt -40.31 -42.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.0 -55.67 15.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.81 -50.97 13.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.55 ' CE1' HG12 ' A' ' 24' ' ' VAL . 3.5 m-30 -45.23 -55.2 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -58.82 -29.8 67.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -27.4 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.61 31.69 1.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.422 ' CG2' ' HD2' ' A' ' 83' ' ' ARG . 54.7 t -121.41 102.03 43.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 161.41 38.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.86 43.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.05 42.94 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.09 43.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.01 6.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.84 -31.85 4.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.24 126.92 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -95.12 118.64 32.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mp -104.28 151.21 23.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -103.42 126.39 50.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 17.8 ttp180 -63.13 144.86 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 89.5 t -97.22 91.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -55.26 -42.87 74.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.58 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -49.68 -24.47 2.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 t -102.22 129.7 48.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -53.73 -40.35 66.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.8 p -81.93 153.9 69.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.97 76.07 3.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.69 100.88 13.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 6.4 m-85 -90.45 138.76 31.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.6 m -140.62 160.98 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.434 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 75.9 t60 -151.56 121.53 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.8 136.56 52.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' ARG . 16.4 m-20 -165.09 168.99 16.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.598 HG11 ' CB ' ' A' ' 133' ' ' ALA . 0.7 OUTLIER -136.42 126.69 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -121.16 101.86 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.1 -82.11 0.72 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.05 19.89 0.65 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 2.3 mtmp? -136.96 149.76 47.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.496 HG23 ' CD1' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -95.58 129.84 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -96.48 125.36 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.594 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -108.57 141.24 40.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 93.7 m-85 -141.66 119.65 12.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -118.47 136.59 53.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -127.97 116.72 20.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.9 t -125.32 113.1 25.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -62.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -54.66 -21.52 10.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 66.26 39.82 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.54 132.97 95.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 18.5 Cg_endo -75.0 -9.47 20.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.6 p -96.29 -40.27 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.3 t -73.33 -36.79 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 1.8 tttp -78.27 -46.05 21.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 73' ' ' PRO . . . -40.09 -64.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 3.2 t80 -46.29 -57.4 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' PHE . . . -39.47 -57.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 83' ' ' ARG . . . -52.5 -35.05 43.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 84' ' ' GLU . 3.3 tt -63.65 -41.37 98.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 2.9 mm? -61.85 -63.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.502 ' HB2' ' CB ' ' A' ' 87' ' ' GLU . 6.3 ptp180 -54.67 -38.48 66.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 8.4 mm-40 -37.22 -55.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.542 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -125.14 47.39 1.02 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 30.7 mt -155.92 -42.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.522 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -62.12 112.17 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.9 -8.59 63.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.677 ' OE1' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -73.71 -166.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.264 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.677 ' O ' ' OE1' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -92.31 164.82 21.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.011 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.37 21.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.31 -54.7 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.609 ' CB ' ' OE1' ' A' ' 89' ' ' GLU . . . -53.54 -26.0 19.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.632 HG21 ' CG ' ' A' ' 89' ' ' GLU . 2.3 t -72.36 -56.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.46 HD23 ' CG1' ' A' ' 130' ' ' VAL . 4.4 mm? -57.56 -33.89 68.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -58.51 -13.83 6.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.519 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 45.2 t -83.02 116.55 64.79 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 174.29 13.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.553 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 18.3 Cg_endo -75.01 -22.44 14.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.05 36.41 4.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.455 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 31.4 p90 -70.97 -7.56 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.553 ' CE2' ' O ' ' A' ' 99' ' ' PRO . 5.3 p90 -99.3 -16.35 18.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -53.38 149.92 7.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.559 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 57.35 75.01 0.28 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 7.8 m-85 -172.64 -46.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.1 -34.59 1.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -58.74 -16.58 17.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.92 -39.68 95.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -94.7 -46.66 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.494 ' CE2' HD13 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -43.06 -57.48 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' A' ' 107' ' ' LEU . 95.9 m-85 -88.05 14.98 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 111' ' ' PHE . 1.5 p 53.91 168.39 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.509 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -74.96 -37.15 2.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.797 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -69.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -39.06 -44.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.469 HD22 ' CE1' ' A' ' 102' ' ' TYR . 9.6 mt -43.4 -57.98 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.509 ' CD ' ' O ' ' A' ' 113' ' ' PRO . 1.7 mpt_? -38.79 -57.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -55.92 -36.86 68.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.578 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 10.6 mt -66.48 -53.35 36.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 121' ' ' ALA . 3.2 mt-10 -42.82 -62.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -30.97 -45.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.42 -65.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.484 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 1.3 tm? -57.07 -50.96 71.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.55 ' CD1' ' HB3' ' A' ' 99' ' ' PRO . 11.2 mp -43.36 -58.73 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 128' ' ' ALA . 13.7 mtt-85 -52.88 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' ARG . 4.6 mt -39.63 -58.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 10.2 mt-30 -51.37 -39.85 57.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -71.7 -23.03 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -83.92 -45.0 13.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 133' ' ' ALA . 93.0 t -58.2 -50.59 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -42.42 -35.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 136' ' ' SER . 14.1 mmmt -63.21 -45.37 91.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.598 ' CB ' HG11 ' A' ' 57' ' ' VAL . . . -53.82 -47.05 71.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.409 ' H ' ' CD1' ' A' ' 134' ' ' LEU . 6.8 mp -49.59 -39.74 36.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.4 t -120.38 40.18 3.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' LYS . 29.5 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.038 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 22.3 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.0 175.61 11.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.809 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.04 -55.9 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -38.9 -43.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -72.88 -69.91 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -39.26 -30.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' ' C ' ' A' ' 6' ' ' LEU . 1.3 mm-40 -73.86 -57.73 3.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -26.71 60.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 59.4 mt -82.29 -57.65 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.89 -45.24 67.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' LEU . 54.6 tp -58.62 -41.46 85.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CZ ' HD23 ' A' ' 25' ' ' LEU . 30.2 t80 -61.84 -64.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -54.81 -26.16 33.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.9 t -80.43 -37.29 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 20.8 mt -67.18 157.46 85.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.0 140.19 25.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -35.67 -69.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -32.94 -56.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' GLN . 13.9 mt -61.54 -53.82 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' NE ' ' O ' ' A' ' 16' ' ' LEU . 9.9 mtt180 -38.54 -48.31 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -46.78 -46.34 20.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.055 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 20' ' ' LEU . 2.7 mm100 -66.21 -49.67 66.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.097 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' LEU . 16.9 t -40.66 -65.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.584 HD23 ' CZ ' ' A' ' 13' ' ' PHE . 61.8 mt -39.49 -51.83 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.86 -57.5 12.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.5 mt-10 -38.33 -60.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.449 ' CE1' ' HG3' ' A' ' 84' ' ' GLU . 12.8 m-30 -48.76 -47.37 41.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.54 -16.9 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -93.49 -23.32 18.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -97.17 41.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.436 ' CG2' ' CA ' ' A' ' 80' ' ' GLY . 57.4 t -125.86 90.76 49.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 156.31 43.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.21 42.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 169.28 22.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.96 160.36 40.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.68 3.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.01 -58.4 0.71 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 36' ' ' PRO . 11.5 p -42.08 137.65 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -96.29 136.25 37.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -118.73 139.67 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.11 128.45 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -70.87 124.8 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -74.96 90.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' CYS . 17.2 m-70 -64.86 -43.31 93.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.643 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 7.5 mm-40 -38.29 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -105.64 156.5 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -95.43 47.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -148.59 152.87 38.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 59.67 5.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -102.48 108.94 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -102.07 158.33 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 ' HB ' ' CD2' ' A' ' 126' ' ' LEU . 20.6 m -154.46 156.1 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -145.76 114.14 6.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.664 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.439 ' HB3' ' CG2' ' A' ' 130' ' ' VAL . . . -100.84 136.71 40.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 63' ' ' ARG . 11.6 m-20 -164.63 168.64 17.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.635 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.6 OUTLIER -135.41 126.05 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.81 101.41 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.4 -83.31 0.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.85 18.36 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 24.1 mtmt -138.08 154.12 49.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.8 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 57' ' ' VAL . 1.1 m -94.86 125.25 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.551 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 30.3 mmt180 -88.51 102.67 15.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -81.64 126.68 32.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 75.2 m-85 -128.28 118.82 23.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 66.9 m-85 -119.36 133.46 55.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -133.43 112.17 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.609 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.526 HG22 ' CG2' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -136.66 117.5 11.11 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.1 Cg_endo -75.04 -64.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' PRO . 35.1 t70 -39.24 -29.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' PRO . 3.3 mt-10 68.37 18.9 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.505 ' CB ' HG23 ' A' ' 75' ' ' VAL . . . -40.05 127.71 1.63 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.1 Cg_endo -75.04 -8.36 19.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.4 p -97.68 -32.49 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.526 ' CG2' HG22 ' A' ' 68' ' ' VAL . 8.4 m -82.22 -47.31 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HD2' ' CG1' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -59.91 -46.75 88.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.19 -66.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -43.53 -47.24 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . . . -60.88 -55.82 28.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.436 ' CA ' ' CG2' ' A' ' 32' ' ' VAL . . . -54.66 -18.5 10.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.1 -57.79 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 8.9 mt -54.31 -31.36 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 27.4 ttt85 -82.28 -13.1 57.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 4.6 mm-40 -97.59 -1.97 42.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.407 ' HA2' ' C ' ' A' ' 5' ' ' LYS . . . -127.72 -37.51 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.68 ' O ' ' C ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -93.42 -69.78 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.68 ' C ' ' O ' ' A' ' 86' ' ' LEU . 6.9 tp10 -7.04 111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.68 1.89 87.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 86' ' ' LEU . 12.9 mm-40 -81.57 169.22 17.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.439 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.2 m -75.87 163.17 68.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.051 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 90' ' ' SER . 18.2 Cg_endo -75.03 -13.15 21.43 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.57 -49.81 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.29 -22.16 60.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.474 ' CG2' HD11 ' A' ' 86' ' ' LEU . 2.5 t -77.48 -44.68 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.497 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 4.0 mm? -66.72 -38.16 86.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.26 -20.64 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.9 117.87 46.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.01 167.91 26.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.96 53.84 0.63 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 7.1 p90 -78.88 4.25 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -112.43 -1.44 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -52.72 -56.04 18.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.586 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . -76.73 53.82 3.31 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 98.2 m-85 -164.44 -163.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -125.42 58.9 0.66 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 10' ' ' LEU . 4.5 mt -99.2 -32.97 10.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -64.4 -36.76 85.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -48.71 -23.94 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.427 ' CD2' HD13 ' A' ' 25' ' ' LEU . 83.8 m-85 -105.66 -48.47 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -91.54 117.44 29.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.8 p -53.39 163.38 0.99 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.28 16.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -50.84 10.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 118' ' ' GLY . 0.2 OUTLIER -63.84 -42.04 97.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.95 -50.58 14.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -50.9 -32.22 19.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -85.9 -18.68 59.23 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 mt -85.82 -55.03 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 0.804 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -41.35 -41.84 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 46' ' ' GLU . . . -41.59 -50.14 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 121' ' ' ALA . . . -36.47 -48.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 31.9 tp -66.67 -68.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -40.85 -51.4 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -56.35 -65.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.243 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' A' ' 53' ' ' VAL . 16.7 mt -45.44 -55.87 5.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.413 ' HB3' ' CD1' ' A' ' 95' ' ' LEU . 93.5 mt-30 -48.84 -34.67 12.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.54 -33.49 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 126' ' ' LEU . 28.7 mt-30 -77.42 -45.25 26.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 133' ' ' ALA . 60.7 t -55.56 -50.81 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.497 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 4.1 mtt180 -44.93 -34.06 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.425 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 10.5 mmmm -63.01 -41.48 99.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.635 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -57.94 -35.67 71.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.3 mt -55.16 -42.97 73.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 66.9 p -104.39 17.4 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.437 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.039 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.53 ' CG2' ' HD2' ' A' ' 7' ' ' LYS . 5.0 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HD2' ' HB ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.0 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.02 -56.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 6.6 mmmt -35.98 -35.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.586 HD13 ' CD2' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -85.81 -65.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 0.3 OUTLIER -40.53 -31.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.36 -59.19 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.45 -34.55 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.73 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -50.77 -50.0 56.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -51.85 -69.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 33.4 t80 -37.54 -59.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -52.92 -41.14 64.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . 14.9 t -68.75 -34.86 76.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 20.8 mt -65.06 154.2 87.3 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.04 138.0 22.35 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -34.79 -69.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -34.39 -55.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' GLN . 14.8 mt -63.05 -51.43 66.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 9.1 mtt180 -41.4 -55.34 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -41.7 -33.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' LEU . 4.0 mt-30 -74.81 -47.99 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.9 t -47.79 -62.98 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.519 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 37.6 mt -43.16 -43.19 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.4 mt -65.82 -46.77 77.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 30' ' ' ALA . 3.2 mt-10 -54.43 -56.87 14.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -42.71 -53.22 4.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.52 -32.25 71.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -72.01 -29.6 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 0.3 OUTLIER -95.63 45.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.5 t -136.03 96.14 13.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.67 39.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.14 43.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 160.86 39.52 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.556 1.819 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.05 164.42 33.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.35 9.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.75 55.88 0.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 36' ' ' PRO . 11.4 p -161.82 143.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -112.34 127.3 55.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.15 155.3 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -116.31 118.78 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -54.93 141.43 33.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.7 t -99.11 93.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.36 -35.95 78.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.06 -23.77 14.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -102.96 156.62 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -65.49 -77.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.3 p -58.67 160.88 9.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.04 80.24 2.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.779 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -88.75 103.89 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 11.7 m-85 -90.76 129.11 36.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.58 157.65 39.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.451 ' CD2' ' CG2' ' A' ' 39' ' ' VAL . 80.7 t60 -158.25 134.13 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.603 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.66 134.03 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 5.4 m-20 -139.37 173.64 11.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 93.2 t -132.26 122.15 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.03 112.21 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.97 16.34 58.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.75 -4.55 84.99 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -104.73 173.82 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 56' ' ' ASP . 1.1 m -109.41 127.31 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.593 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -87.8 121.12 29.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 2.2 mp -97.71 141.52 30.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 66.2 m-85 -146.42 119.05 8.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -128.94 139.23 52.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -138.15 113.16 9.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 2.4 t -120.94 119.83 29.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -57.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -16.35 60.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 67.1 26.02 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.37 116.39 1.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.5 21.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 p -94.77 -24.71 16.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.9 t -94.03 -45.3 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 2.2 tttt -63.46 -40.41 97.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.13 -65.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 3.5 t80 -45.26 -45.0 11.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.2 86.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.37 -25.57 62.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.43 -49.92 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 5.9 mt -57.85 -31.68 66.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 13.7 ttt85 -84.0 -11.83 56.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -97.37 -0.9 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA2' ' C ' ' A' ' 5' ' ' LYS . . . -130.5 -39.0 0.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.686 ' O ' ' C ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -93.18 -69.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.262 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 86' ' ' LEU . 1.3 tt0 -1.22 105.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.14 8.42 81.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 86' ' ' LEU . 23.4 mm-40 -89.71 166.68 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.509 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 97.3 p -79.37 158.76 73.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.515 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 18.1 Cg_endo -75.06 -8.04 19.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.37 -32.22 17.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.465 ' HA ' ' HG2' ' A' ' 96' ' ' GLU . . . -85.26 -16.75 39.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.515 ' CG2' ' HA ' ' A' ' 91' ' ' PRO . 9.0 m -87.54 -47.83 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' A' ' 94' ' ' VAL . 1.9 mt -57.4 -42.15 81.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 12.8 pt-20 -56.99 -38.82 73.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.518 ' CG1' HG12 ' A' ' 2' ' ' VAL . 49.2 t -57.02 116.19 12.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.416 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.01 172.17 16.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -13.9 21.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.5 36.82 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.586 ' CD2' HD13 ' A' ' 6' ' ' LEU . 29.7 p90 -74.42 -10.59 59.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.464 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 37.5 p90 -94.51 -14.83 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -50.69 137.26 20.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 61.3 78.2 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 4.6 m-85 -171.16 -47.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.98 -40.28 0.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.547 ' CD1' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -48.2 -53.98 15.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.415 ' HA ' ' CD1' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -48.04 -29.6 3.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.55 -60.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.5 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -45.5 -64.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -80.2 139.79 36.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 27.6 p -62.86 160.85 33.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -10.39 21.15 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.94 -53.5 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -67.83 -27.12 66.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.446 HD21 ' CZ ' ' A' ' 102' ' ' TYR . 4.4 mt -61.14 -48.09 83.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -39.27 -46.46 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' LEU . . . -69.29 -56.69 8.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.577 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.4 mp -39.91 -35.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.25 -53.45 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -42.52 -44.29 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.01 -65.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.416 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 42.3 tp -49.0 -57.53 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.3 mt -45.57 -61.83 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.3 OUTLIER -51.1 -59.36 4.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.1 mt -47.14 -47.14 23.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 63.5 mt-30 -64.17 -26.06 68.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -77.16 -18.93 57.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -89.87 -25.68 20.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 133' ' ' ALA . 60.0 t -76.92 -46.83 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -47.91 -26.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -77.6 -38.2 48.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -65.82 -36.12 82.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.96 -41.93 68.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 12.8 t -85.44 11.56 10.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttm . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.543 0.211 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 17.3 t -48.4 140.81 9.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.02 174.55 12.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -75.04 -53.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' PRO . 2.7 mmmt -38.3 -38.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -84.71 -61.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -41.14 -33.75 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -49.56 60.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.44 -49.25 77.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 71.6 mt -62.28 -60.28 3.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -47.58 -46.6 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LEU . 43.7 tp -62.58 -36.58 83.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.41 -60.74 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -56.62 -18.16 11.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -91.14 -38.35 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 12' ' ' LEU . 19.7 mt -66.3 156.08 86.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.0 134.05 17.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 17' ' ' PRO . 38.7 tttt -34.78 -68.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.1 pt-20 -35.41 -48.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 13.6 mt -69.63 -48.99 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 18' ' ' LYS . 9.6 mtt85 -39.99 -39.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 t -63.44 -52.07 63.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.63 -27.81 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.8 t -68.99 -54.32 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 110' ' ' PHE . 13.9 mt -51.78 -33.71 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.71 -61.14 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.73 -51.93 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -42.25 -57.73 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.2 61.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -23.91 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' CZ ' ' A' ' 83' ' ' ARG . 0.8 OUTLIER -100.03 41.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -125.89 97.06 36.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.51 42.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.12 42.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 165.05 32.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' O ' HG11 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.96 159.53 41.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.39 4.57 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.99 -57.07 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG11 ' O ' ' A' ' 36' ' ' PRO . 7.3 p -39.9 142.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -108.33 127.31 53.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.1 143.83 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -101.02 130.11 46.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.41 146.48 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.468 HG21 ' CD ' ' A' ' 125' ' ' ARG . 89.1 t -103.57 91.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -48.43 71.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.662 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.11 -41.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.2 t -87.11 144.92 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -60.57 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -62.35 155.49 66.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.01 74.46 4.0 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -87.93 119.1 27.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 10.6 m-85 -108.67 132.88 53.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 m -133.64 161.69 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.449 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 80.9 t60 -159.4 112.95 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 126' ' ' LEU . . . -102.12 140.02 36.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' ARG . 30.1 m-20 -165.04 170.45 15.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -135.34 124.43 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.34 114.5 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.58 -79.73 1.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.04 26.22 0.36 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -141.87 155.69 45.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.517 ' CG2' ' C ' ' A' ' 90' ' ' SER . 22.4 t -84.02 153.48 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 3.0 mmt-85 -130.77 102.13 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 8.4 mt -86.08 142.07 28.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 75.0 m-85 -143.56 120.01 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.57 153.35 40.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -142.11 112.38 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.627 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.94 117.41 48.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.416 ' CG ' ' HG2' ' A' ' 50' ' ' PRO . 18.1 Cg_endo -75.04 -52.8 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -77.91 0.7 23.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 5.0 pt-20 46.83 38.06 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -52.99 139.33 43.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -74.99 -36.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.811 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.5 p -78.28 -27.2 47.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 72' ' ' ALA . 37.2 t -80.33 -47.21 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 8.8 tttt -68.51 -43.7 76.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 73' ' ' PRO . . . -40.07 -67.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.584 ' CD2' ' HG ' ' A' ' 119' ' ' LEU . 43.4 t80 -53.72 -58.31 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.72 -36.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -76.08 -47.35 11.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.19 -32.45 64.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 78' ' ' PHE . 56.0 mt -63.66 -53.44 51.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.459 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -71.7 -30.46 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.433 ' CD ' ' C ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -53.26 -33.62 53.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 6' ' ' LEU . . . -127.51 40.52 1.74 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 76.7 mt -154.48 -44.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.91 108.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.245 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.66 -20.17 39.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 73.1 mm-40 -62.65 -179.03 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.517 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 1.5 m -89.29 160.71 41.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -11.53 21.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.73 -35.68 12.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.1 -36.17 64.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.6 t -69.16 -22.42 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' A' ' 127' ' ' GLN . 8.5 mt -88.58 -34.69 17.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.05 -10.78 32.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.458 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 48.5 t -75.57 127.75 85.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.79 32.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.463 1.77 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.45 11.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.99 57.08 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 6' ' ' LEU . 28.5 p90 -87.7 3.45 47.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.455 ' OH ' ' CG ' ' A' ' 120' ' ' GLU . 2.5 p90 -109.23 9.24 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -85.53 -37.25 19.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . -81.18 49.98 4.1 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 65.5 m-85 -165.12 -109.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -168.15 45.18 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.495 ' CD1' ' CD2' ' A' ' 10' ' ' LEU . 1.9 mt -101.33 -45.25 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.488 ' HA ' ' CD1' ' A' ' 116' ' ' LEU . 2.1 tt0 -50.81 -43.36 58.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -3.84 20.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.57 ' CD1' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -102.41 -42.48 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.495 ' O ' ' CB ' ' A' ' 115' ' ' ARG . 37.4 m-85 -104.36 16.62 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.443 ' O ' ' O ' ' A' ' 111' ' ' PHE . 4.7 p 54.28 164.87 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.419 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.13 20.79 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -86.19 -68.01 0.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.5 ttm180 -42.43 -31.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.488 ' CD1' ' HA ' ' A' ' 108' ' ' GLU . 25.8 mt -62.09 -47.58 83.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 116' ' ' LEU . 25.9 mtt180 -35.54 -49.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -71.57 -55.03 7.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -48.95 -42.54 37.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.455 ' CG ' ' OH ' ' A' ' 102' ' ' TYR . 22.5 mt-10 -57.63 -60.04 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -38.73 -33.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 120' ' ' GLU . . . -54.62 -57.1 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 120' ' ' GLU . 16.3 tp -60.05 -61.99 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.7 mt -41.03 -53.03 3.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.468 ' CD ' HG21 ' A' ' 44' ' ' VAL . 30.3 mtt85 -55.36 -64.52 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 55' ' ' ALA . 5.7 mt -45.15 -51.98 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 7.4 mt-30 -51.54 -30.31 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -80.03 -24.17 40.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.487 ' HA ' ' CD ' ' A' ' 132' ' ' LYS . 7.5 mt-30 -85.29 -18.27 34.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 133' ' ' ALA . 26.5 t -77.89 -51.2 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 130' ' ' VAL . 13.2 mtp85 -35.39 -38.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.487 ' CD ' ' HA ' ' A' ' 129' ' ' GLN . 0.1 OUTLIER -65.49 -53.99 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.231 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.588 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -43.8 -47.66 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.236 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.452 ' CD1' HG13 ' A' ' 130' ' ' VAL . 8.3 mp -44.58 -45.03 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.9 t -125.0 43.19 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 132' ' ' LYS . 44.3 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.472 0.177 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 21.9 t 65.16 140.71 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 174.48 12.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.441 1.758 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.94 -58.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -38.06 -31.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -86.26 -68.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -41.5 -31.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -65.77 -50.98 62.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.2 -51.23 70.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 92.9 mt -59.13 -54.61 45.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -53.24 -44.13 67.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' LEU . 33.4 tp -67.56 -36.81 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 21' ' ' ARG . 13.7 t80 -56.45 -63.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.2 ttpt -57.19 -23.32 46.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -84.88 -24.0 28.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 12' ' ' LEU . 19.7 mt -75.39 161.75 75.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.4 Cg_endo -75.0 140.18 25.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.464 1.77 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' GLU . 5.9 tttm -36.29 -68.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.6 tp10 -33.37 -48.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLN . 9.6 mp -72.42 -48.83 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.485 ' HB3' ' CE2' ' A' ' 110' ' ' PHE . 37.7 mtt180 -38.19 -31.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -90.55 -41.96 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -62.67 -51.83 65.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 16' ' ' LEU . 18.7 t -44.85 -53.07 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.573 HD12 ' CE2' ' A' ' 111' ' ' PHE . 48.0 mt -48.43 -45.45 36.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mt -59.78 -58.85 6.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.4 mt-10 -47.16 -54.69 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 2.9 m-30 -40.65 -47.1 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.63 -42.78 97.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -61.05 -19.94 61.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' O ' ' CZ ' ' A' ' 83' ' ' ARG . 1.5 mptp? -100.47 38.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.3 t -122.2 94.04 48.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.7 42.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.75 43.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 168.09 25.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.813 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.97 158.36 42.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 112.42 3.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.24 -57.78 0.72 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.436 ' CG1' ' HD2' ' A' ' 36' ' ' PRO . 14.3 p -39.98 141.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -101.98 141.88 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.51 145.32 50.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -100.01 123.06 43.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -60.16 138.57 57.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.09 91.02 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -55.82 -47.28 77.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -45.93 -24.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' GLN . 1.8 t -118.86 100.15 7.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' CYS . 11.2 mt-30 -37.33 -42.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 33.0 p -52.58 146.78 16.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 49' ' ' THR . 18.3 Cg_endo -74.96 65.43 6.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -105.52 103.08 12.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -100.61 150.28 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.551 HG13 ' CE1' ' A' ' 66' ' ' PHE . 30.3 m -143.21 159.24 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.426 ' CD2' ' CG2' ' A' ' 39' ' ' VAL . 86.3 t60 -149.39 129.88 13.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' CB ' ' CG2' ' A' ' 130' ' ' VAL . . . -117.9 136.08 53.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 74.9 m-20 -144.59 174.66 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG23 ' CB ' ' A' ' 133' ' ' ALA . 57.8 t -130.36 115.07 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.98 125.06 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.07 34.98 89.91 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.15 3.0 55.43 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -114.43 154.79 27.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -96.18 127.36 48.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.536 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 2.5 mmm-85 -93.58 108.71 20.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' CD1' HG21 ' A' ' 62' ' ' VAL . 6.8 mp -82.24 133.49 35.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 49.3 m-85 -138.04 119.05 14.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 60.1 m-85 -117.93 149.98 40.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -145.87 114.38 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG23 ' CG2' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -138.89 112.57 8.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.96 -63.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.8 OUTLIER -39.29 -28.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' PRO . 18.4 mt-10 67.64 32.42 5.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -51.3 134.63 32.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.04 -10.73 21.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.418 HG21 ' NH1' ' A' ' 115' ' ' ARG . 0.9 OUTLIER -97.81 -54.44 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.566 ' CG2' HG23 ' A' ' 68' ' ' VAL . 5.0 m -54.2 -49.98 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 1.5 tttt -60.99 -45.15 95.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -36.66 -68.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 0.4 OUTLIER -45.52 -54.24 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . . . -40.34 -50.66 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 84' ' ' GLU . . . -62.2 -34.63 89.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -66.35 -42.0 88.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 3.2 mm? -66.44 -57.48 7.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 31' ' ' LYS . 1.1 ptm180 -64.39 -12.11 39.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.514 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 3.8 mm-40 -71.28 -34.75 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -141.86 46.8 0.87 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 49.1 mt -155.81 -44.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -51.08 111.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.18 -14.01 66.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 86' ' ' LEU . 6.3 mm-40 -65.91 -176.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.467 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 1.2 m -92.82 163.15 26.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.432 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.96 -35.19 3.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 2.6 mm-40 -70.68 -35.52 72.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.14 -30.61 49.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 90' ' ' SER . 21.5 t -72.95 -46.47 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 4.6 mm? -61.09 -37.09 81.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 3.8 mm-40 -57.46 -16.76 10.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.433 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 46.3 t -77.51 113.82 35.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.89 21.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.01 10.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.81 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.489 ' HA2' ' CE2' ' A' ' 102' ' ' TYR . . . -137.01 48.42 0.91 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 7.0 p90 -78.24 1.77 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.489 ' CE2' ' HA2' ' A' ' 100' ' ' GLY . 50.8 p90 -105.92 -36.11 7.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 102' ' ' TYR . 17.5 mtt-85 -36.9 119.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 116.9 -69.21 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 46.9 m-85 -38.07 -85.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 0.767 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 158.71 58.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 10' ' ' LEU . 1.9 mt -100.7 -39.09 8.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 110' ' ' PHE . 15.4 mt-10 -58.53 -48.21 81.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -40.8 -28.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 21' ' ' ARG . 87.4 m-85 -104.29 -50.66 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.573 ' CE2' HD12 ' A' ' 25' ' ' LEU . 42.9 m-85 -76.93 107.27 9.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 111' ' ' PHE . 59.7 p -38.87 158.59 0.1 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -8.07 19.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.43 -66.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.418 ' NH1' HG21 ' A' ' 74' ' ' THR . 69.7 mtt180 -48.62 -42.91 35.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.9 mt -40.89 -60.19 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -41.06 -54.47 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 121' ' ' ALA . . . -63.76 -56.53 18.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -39.83 -64.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -43.13 -44.25 4.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . . . -48.07 -38.84 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -49.4 -57.49 6.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.89 -53.38 58.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.6 -38.84 56.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -66.5 -61.52 1.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 mt -49.8 -51.19 41.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 19.6 mt-30 -52.52 -27.7 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.163 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.22 -26.96 30.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -82.2 -29.58 31.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.465 ' CG2' ' CB ' ' A' ' 55' ' ' ALA . 99.8 t -79.17 -55.63 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 7.3 mtt180 -42.79 -35.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -62.66 -44.82 95.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -54.38 -48.41 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.9 mp -45.18 -51.98 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 15.2 t -74.92 -25.39 58.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.43 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' N ' ' HB3' ' A' ' 96' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.516 0.198 . . . . 0.0 110.983 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 16.1 t -114.66 141.17 26.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.02 172.11 17.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.93 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' PRO . 1.1 mmmt -37.63 -32.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -87.64 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -43.63 -30.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -53.36 47.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.71 -57.06 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 48.6 mt -46.77 -56.9 5.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.23 -55.61 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -48.82 -61.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 21.2 t80 -42.76 -62.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' CD ' ' HA ' ' A' ' 105' ' ' TYR . 5.3 tttp -56.19 -23.05 32.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.3 t -86.79 -7.21 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.948 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.472 ' CD1' HD22 ' A' ' 12' ' ' LEU . 60.7 mt -92.58 160.28 34.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 20' ' ' LEU . 18.1 Cg_endo -75.08 127.91 11.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 17' ' ' PRO . 31.8 tttt -31.45 -67.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 12.8 pt-20 -35.95 -49.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 17' ' ' PRO . 17.6 mt -68.55 -50.16 54.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.598 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 32.7 mtm-85 -48.12 -28.21 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -33.47 73.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.8 pt20 -89.26 -36.31 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.469 HG13 ' CE1' ' A' ' 28' ' ' TYR . 55.1 t -52.92 -53.31 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 52.1 mt -53.88 -37.97 64.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 4.2 mm? -64.04 -55.82 19.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.91 -51.92 21.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.536 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.5 m-30 -44.1 -52.54 7.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.424 ' HB1' ' N ' ' A' ' 77' ' ' ALA . . . -63.46 -32.52 73.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -85.89 -34.01 21.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.2 t -41.28 101.29 0.24 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.81 43.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.08 40.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 155.82 42.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD3' ' CD1' ' A' ' 65' ' ' TYR . 18.1 Cg_endo -74.99 161.03 39.45 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.439 1.758 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 128.28 11.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.06 -31.9 7.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 13.8 t -63.69 134.19 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 4.7 tt0 -102.32 130.55 49.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 53' ' ' VAL . 3.1 mp -114.83 152.04 32.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -109.93 134.1 52.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -71.63 138.35 48.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.6 t -95.95 94.9 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -30.23 71.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.626 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 1.3 tt0 -59.55 -15.23 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.426 ' C ' ' CG ' ' A' ' 48' ' ' GLN . 5.7 t -107.57 -18.59 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 108.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.426 ' CG ' ' C ' ' A' ' 47' ' ' CYS . 1.3 mt-30 79.32 -59.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -53.37 161.55 1.41 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 62.14 5.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -99.86 107.54 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.47 157.83 17.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.576 HG21 ' CD1' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -157.74 173.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 65.0 t60 -164.62 113.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' O ' ' OD1' ' A' ' 56' ' ' ASP . . . -100.31 141.28 33.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 63' ' ' ARG . 19.4 m-20 -165.71 165.37 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.491 HG12 ' CB ' ' A' ' 133' ' ' ALA . 1.3 p -136.21 121.25 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.79 102.35 9.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.76 -80.77 0.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.6 23.08 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -140.32 141.95 35.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.539 ' CG1' ' C ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -88.98 127.05 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -94.0 115.83 28.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 83' ' ' ARG . 11.3 mt -92.14 131.9 37.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.517 ' CD1' ' HD3' ' A' ' 36' ' ' PRO . 67.5 m-85 -134.89 123.38 23.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CD1' HG21 ' A' ' 53' ' ' VAL . 70.0 m-85 -123.72 149.05 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -146.54 112.63 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.619 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.483 ' CG1' ' HD2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -138.07 115.83 9.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.458 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.3 Cg_endo -74.91 -61.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 69' ' ' PRO . 16.6 t0 -39.19 -29.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 69' ' ' PRO . 11.5 mt-10 61.19 47.51 7.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.19 128.39 80.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 18.5 Cg_endo -74.93 -6.54 18.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 p -92.63 -33.2 14.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.0 t -92.12 -45.4 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.483 ' HD2' ' CG1' ' A' ' 68' ' ' VAL . 2.8 tttt -62.57 -42.6 99.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.424 ' N ' ' HB1' ' A' ' 29' ' ' ALA . . . -39.93 -67.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 2.6 t80 -43.51 -46.18 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . . . -46.75 -55.98 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -58.33 -40.18 93.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.446 1.092 . . . . 0.0 111.017 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' CD2' ' A' ' 81' ' ' LEU . 4.3 tt -61.54 -42.09 98.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 0.738 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.77 -58.26 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.479 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -64.52 -23.76 67.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.536 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 4.4 mm-40 -54.62 -35.76 63.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.481 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -140.84 50.09 0.76 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 66.4 mt -155.77 -45.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.42 113.86 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.14 -17.49 51.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -68.44 -167.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.539 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 1.6 p -98.96 158.2 32.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.478 ' HG3' ' CG2' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.02 -8.83 20.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -93.19 -32.74 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.18 -35.17 36.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.46 -26.49 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.469 ' CD1' HG11 ' A' ' 130' ' ' VAL . 10.6 mt -82.55 -33.35 28.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.417 ' HB3' ' N ' ' A' ' 1' ' ' MET . 2.9 mm-40 -69.46 -5.41 23.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.456 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 75.4 t -80.33 127.56 75.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.22 41.72 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.33 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.66 24.79 3.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 4.7 p90 -54.06 -28.64 40.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.554 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 29.2 p90 -77.65 -28.84 51.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.453 ' HG2' ' CE1' ' A' ' 102' ' ' TYR . 8.2 mtp180 -47.39 128.46 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 72.13 77.17 0.56 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 7.6 m-85 -173.08 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 109' ' ' GLU . . . 154.04 -36.9 0.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.515 ' CD1' ' CE2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -39.83 -54.25 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.52 -54.54 42.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 106' ' ' GLY . 2.4 mt-10 -40.11 -49.24 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -80.08 -54.69 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 112' ' ' THR . 54.6 m-85 -79.33 108.79 13.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 111' ' ' PHE . 7.3 p -41.04 162.67 0.11 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -5.83 17.3 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.43 1.752 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.97 -63.55 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -51.71 -35.91 44.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.5 mt -49.58 -48.98 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -39.98 -46.6 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.75 -51.7 49.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -49.33 -44.85 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.781 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -55.08 -49.02 72.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . . . -54.39 -39.25 67.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.99 -53.18 21.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 0.9 OUTLIER -65.95 -60.44 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' LEU . 17.0 mt -39.98 -35.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -70.01 -55.83 8.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.502 HD23 ' CG1' ' A' ' 53' ' ' VAL . 11.3 mt -53.76 -46.85 71.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.468 ' HG3' ' CD2' ' A' ' 123' ' ' LEU . 26.4 mt-30 -56.84 -29.08 62.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.42 -40.49 29.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.447 ' HA ' ' CE ' ' A' ' 132' ' ' LYS . 51.0 mt-30 -65.7 -29.07 69.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.469 HG11 ' CD1' ' A' ' 95' ' ' LEU . 58.0 t -65.48 -51.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 130' ' ' VAL . 20.9 mtp85 -36.34 -45.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -71.68 -46.45 58.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.491 ' CB ' HG12 ' A' ' 57' ' ' VAL . . . -54.07 -25.77 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 91' ' ' PRO . 17.8 mt -56.49 -39.84 73.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.7 p -101.7 -16.68 16.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 tpt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.506 0.193 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.5 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 45.7 t 67.21 141.58 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 173.57 14.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' CA ' ' OE1' ' A' ' 8' ' ' GLN . 18.4 Cg_endo -75.03 -55.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.8 OUTLIER -40.05 -43.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.469 ' CD2' HG13 ' A' ' 2' ' ' VAL . 16.2 tp -75.61 -68.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.0 tptm -39.48 -33.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.438 ' OE1' ' CA ' ' A' ' 4' ' ' PRO . 1.4 mp0 -63.58 -52.13 62.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -60.54 -58.65 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 71.1 mt -47.79 -50.81 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.25 -59.53 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 16' ' ' LEU . 41.3 tp -51.39 -43.25 61.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CZ ' HD23 ' A' ' 25' ' ' LEU . 30.8 t80 -51.84 -63.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -56.75 -29.73 62.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -76.87 -25.49 53.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . 27.8 mt -73.94 157.38 87.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.4 Cg_endo -74.96 136.37 20.4 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 17' ' ' PRO . 6.7 tttt -34.78 -68.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -34.48 -56.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' GLN . 24.1 mt -62.48 -46.8 86.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 14.0 mtt180 -46.81 -23.8 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -80.92 -38.0 28.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.061 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.525 ' CG ' ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -71.39 -50.6 30.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.525 ' N ' ' CG ' ' A' ' 23' ' ' GLN . 3.4 p -46.12 -48.84 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.664 ' CD1' ' CE1' ' A' ' 110' ' ' PHE . 30.8 mt -51.96 -46.66 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.51 -48.08 73.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' ALA . 2.4 mm-40 -50.64 -57.37 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 6.2 m-30 -41.11 -58.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.2 -36.34 40.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -68.88 -25.48 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' TYR . 1.2 mppp? -96.13 30.33 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -119.44 100.02 49.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.67 41.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.12 42.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 158.03 42.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.29 41.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.9 11.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.17 -32.91 5.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.13 129.6 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 5.4 tt0 -98.43 118.79 35.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.54 146.56 28.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -103.73 120.58 41.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -56.55 147.79 21.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.2 t -103.7 91.67 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.26 -36.32 79.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.622 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -21.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.3 t -104.32 158.39 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 108.325 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -71.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -64.45 157.2 73.59 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 77.48 3.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.438 ' CE1' HG13 ' A' ' 53' ' ' VAL . 2.3 t80 -93.38 105.35 17.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -89.98 142.5 27.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG13 ' CE1' ' A' ' 51' ' ' PHE . 20.9 m -136.26 163.21 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 11.1 t60 -162.17 125.07 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.51 129.3 55.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 1.1 m-20 -136.95 174.49 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 93.6 t -126.34 102.34 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.07 101.99 13.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.4 -83.65 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.572 1.17 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.31 13.16 2.06 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 22.8 mtmt -124.54 160.35 28.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -95.57 126.62 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 9.7 mmt180 -89.57 121.08 31.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.505 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 1.7 mp -102.09 137.45 40.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 36.9 m-85 -147.06 119.78 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -124.55 145.3 49.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -138.67 114.04 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.599 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.463 HG13 ' CG2' ' A' ' 75' ' ' VAL . 3.5 t -125.8 116.69 24.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -63.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -21.5 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 66.97 25.39 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.47 ' CB ' HG12 ' A' ' 75' ' ' VAL . . . -42.5 126.39 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.11 21.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 p -96.07 -28.14 14.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 72' ' ' ALA . 3.2 m -87.83 -45.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 75' ' ' VAL . 2.2 tttt -63.41 -49.96 71.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -38.92 -63.57 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 6.9 t80 -47.04 -52.31 15.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.75 -37.91 14.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.12 -26.61 63.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -77.61 -32.67 53.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 86.6 mt -69.79 -49.2 55.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -74.75 -13.41 60.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.541 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 3.4 mm-40 -59.75 -41.74 91.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.43 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -130.92 48.99 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.43 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 68.4 mt -154.99 -43.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.479 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 1.1 tt0 -48.52 119.15 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.07 -19.47 34.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 86' ' ' LEU . 64.0 mm-40 -65.18 177.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.531 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -88.25 158.49 49.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.545 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 18.2 Cg_endo -74.98 -12.84 21.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.783 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -84.99 -33.89 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.9 -35.08 29.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.545 ' CG2' ' HA ' ' A' ' 91' ' ' PRO . 11.6 m -66.35 -48.48 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.426 ' HA ' ' NE2' ' A' ' 127' ' ' GLN . 6.0 mt -56.46 -36.74 69.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.88 -11.44 18.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 94' ' ' VAL . 21.5 t -74.76 120.34 81.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.518 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.0 160.2 40.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.03 8.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.411 ' HA2' ' CE2' ' A' ' 102' ' ' TYR . . . -132.66 22.84 4.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.529 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 14.0 p90 -50.8 -31.86 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 41.7 p90 -72.23 -25.51 61.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HG3' ' CA ' ' A' ' 100' ' ' GLY . 21.5 mtp180 -51.02 145.84 6.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 56.55 80.13 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.9 m-85 -178.47 -45.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 150.59 -36.89 0.91 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mt -50.7 -24.07 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 0.736 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.05 -39.89 71.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -9.84 58.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -91.33 -63.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -83.74 130.6 34.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.0 p -54.1 157.2 4.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.88 16.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mt -87.54 -49.92 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -37.43 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.1 mt -50.74 -44.4 58.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -54.46 -33.42 59.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.64 -31.92 25.87 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 19.5 mt -67.11 -36.67 82.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.55 -49.95 75.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.49 49.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.62 -57.55 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 98' ' ' PRO . 3.2 tt -57.25 -61.46 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.9 mt -44.74 -57.24 3.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 128' ' ' ALA . 68.3 mtt-85 -46.82 -67.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 129' ' ' GLN . 2.9 mt -41.24 -56.45 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 88.5 mt-30 -51.38 -36.46 43.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -69.91 -20.88 63.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 8.1 mt-30 -87.49 -11.03 50.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' CB ' ' A' ' 91' ' ' PRO . 78.0 t -95.59 -49.01 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -46.83 -41.88 16.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.509 ' CD ' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -69.26 -32.88 72.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.509 ' N ' ' CD ' ' A' ' 132' ' ' LYS . . . -68.14 -30.63 69.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.47 -42.64 99.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 132' ' ' LYS . 15.0 t -71.55 -6.57 41.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' N ' ' OE1' ' A' ' 96' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.518 0.199 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 23.3 t -46.66 141.13 5.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.06 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.515 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -41.96 -37.6 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -80.24 -64.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -41.77 -32.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -47.57 81.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -65.17 -64.73 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 70.9 mt -40.95 -44.95 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -72.36 -65.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LEU . 28.8 tp -41.66 -45.76 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 10.2 t80 -57.8 -62.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -55.83 -19.11 10.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -89.11 -32.6 17.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.444 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 34.6 mt -70.55 160.32 81.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.01 134.73 18.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -33.96 -68.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 18' ' ' LYS . 2.1 pt-20 -34.92 -57.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' CD2' ' NE2' ' A' ' 23' ' ' GLN . 18.2 mt -57.37 -55.78 30.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.9 mtt180 -38.81 -31.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -64.52 -53.9 40.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.986 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.495 ' NE2' ' CD2' ' A' ' 20' ' ' LEU . 1.1 pt20 -66.14 -39.91 90.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -50.25 -64.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 110' ' ' PHE . 78.7 mt -44.08 -39.83 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.02 -56.09 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.1 -53.8 24.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -41.04 -44.7 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -64.3 -47.93 77.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.22 -19.97 16.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.05 24.51 3.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.406 HG12 ' CE ' ' A' ' 76' ' ' LYS . 58.0 t -116.17 100.99 53.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.51 36.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 154.74 42.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.55 35.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.97 153.25 41.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.59 4.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.2 36.18 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 78.9 t -138.8 124.6 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -87.64 113.74 23.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mp -100.93 144.09 30.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -100.92 143.38 31.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -81.13 130.78 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' A' ' 121' ' ' ALA . 48.6 t -93.63 91.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -54.64 -39.87 68.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.569 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -43.44 -31.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.2 t -100.25 124.87 46.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.338 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -55.82 -33.12 64.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.0 p -77.34 155.88 81.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.611 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.02 66.99 6.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.799 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -91.05 141.76 28.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' ' O ' ' A' ' 50' ' ' PRO . 8.2 m-85 -137.82 140.59 40.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.583 HG21 ' CD1' ' A' ' 66' ' ' PHE . 4.9 p -143.92 155.28 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -152.84 134.02 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.573 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -117.52 151.33 37.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 39.5 m-20 -158.9 166.89 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.459 ' CG2' ' CB ' ' A' ' 133' ' ' ALA . 96.9 t -116.17 107.39 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.53 123.27 37.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.85 46.52 94.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.25 23.36 40.47 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -125.52 177.53 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.4 t -110.42 124.52 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.578 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 3.5 mmt85 -103.55 108.77 20.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.54 150.95 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 65.2 m-85 -153.32 120.24 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CD1' HG21 ' A' ' 53' ' ' VAL . 92.2 m-85 -117.85 165.79 13.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -151.76 115.18 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.604 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.547 HG21 ' CD ' ' A' ' 76' ' ' LYS . 95.7 t -127.98 100.28 24.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -60.46 -10.16 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CA ' HG11 ' A' ' 68' ' ' VAL . 4.6 mt-10 66.28 14.73 9.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.47 119.98 4.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -75.02 -52.91 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.764 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 p -42.58 -28.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' PRO . 85.9 t -94.04 -36.42 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.547 ' CD ' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -60.66 -50.59 72.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.85 -62.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 10.5 t80 -52.82 -56.8 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.34 -46.53 9.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 84' ' ' GLU . . . -68.19 -26.18 74.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -68.12 -41.12 82.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 78' ' ' PHE . 3.5 mm? -55.58 -59.19 5.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -62.6 -37.95 88.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.36 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -35.81 -36.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.461 ' N ' ' HG3' ' A' ' 84' ' ' GLU . . . -147.88 54.35 0.52 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.507 ' CG ' ' O ' ' A' ' 82' ' ' LEU . 77.7 mt -156.27 -45.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.427 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 4.8 tt0 -55.65 115.53 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.61 -15.47 59.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -68.65 -173.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 p -94.15 158.46 35.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.482 ' HB2' ' CD1' ' A' ' 134' ' ' LEU . 18.3 Cg_endo -74.99 -9.18 20.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.62 -39.03 10.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.58 -32.23 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.441 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 3.4 t -68.51 -44.35 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.488 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 3.9 mm? -58.17 -36.2 72.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 1' ' ' MET . 47.5 mm-40 -57.53 -27.56 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.492 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 25.6 t -63.64 112.77 7.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.407 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.0 164.59 33.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -0.42 9.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -129.32 24.47 4.7 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 3.1 p90 -58.95 -23.45 61.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -81.68 -25.35 35.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -51.46 134.44 28.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 63.12 79.18 0.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 4.8 m-85 -175.6 -46.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 159.61 -43.25 0.45 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.574 ' CD1' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -47.24 -43.27 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.734 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.39 -57.21 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.98 -47.17 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.476 ' CE1' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -49.98 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -85.46 150.48 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -71.16 162.95 69.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -10.0 20.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -89.23 -54.52 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -31.15 65.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' GLY . 20.1 mt -67.74 -47.0 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' LEU . 8.3 mtm180 -38.78 -30.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -94.73 -55.87 1.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.592 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.2 mp -41.7 -36.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 121' ' ' ALA . 21.4 mm-40 -69.0 -47.76 64.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 118' ' ' GLY . . . -39.34 -49.2 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.97 -70.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 60.9 tp -43.65 -57.81 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.1 mt -45.76 -55.37 6.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 128' ' ' ALA . 3.1 mtt85 -56.46 -59.55 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.583 ' CD2' ' CG2' ' A' ' 53' ' ' VAL . 3.7 mt -47.36 -50.18 22.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 49.6 mt-30 -60.97 -26.51 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -86.27 -15.72 39.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -98.64 -25.12 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 133' ' ' ALA . 33.2 t -80.82 -52.38 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.488 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 22.2 mtp180 -35.62 -33.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' VAL . 2.3 mtpp -66.07 -55.87 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -43.89 -47.35 8.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 91' ' ' PRO . 8.1 mp -43.46 -37.9 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' LYS . 13.9 t -117.64 28.61 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.567 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 1.4 mtm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.496 0.189 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 1' ' ' MET . 3.7 m 54.43 161.37 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.426 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.96 176.14 10.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 3' ' ' PRO . 18.1 Cg_endo -75.05 -56.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' OE2' ' A' ' 84' ' ' GLU . 4.0 mtpt -38.99 -35.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -83.71 -64.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 7.7 tptt -42.75 -33.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -67.63 -49.25 63.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -55.82 -58.68 6.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 36.6 mt -48.35 -58.06 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.29 -62.24 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.0 tp -46.71 -59.46 3.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 22.6 t80 -38.93 -63.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.24 -33.63 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.2 t -71.28 -22.15 62.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 12' ' ' LEU . 44.3 mt -79.29 159.86 71.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.1 Cg_endo -75.1 135.44 18.91 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -35.21 -68.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.364 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 12.6 pt-20 -36.03 -46.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 11.4 mt -70.75 -52.63 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -38.73 -50.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -48.24 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.98 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -65.41 -39.86 92.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 28' ' ' TYR . 39.9 t -52.68 -63.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 110' ' ' PHE . 71.6 mt -42.39 -41.5 2.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.07 -56.76 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.78 -52.43 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CE1' HG13 ' A' ' 24' ' ' VAL . 3.4 m-30 -43.17 -57.83 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.417 ' HB2' ' N ' ' A' ' 77' ' ' ALA . . . -51.22 -42.92 61.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.07 -25.77 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.87 39.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.471 HG23 ' CA ' ' A' ' 80' ' ' GLY . 87.5 t -128.55 98.13 26.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.31 41.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.69 42.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 153.84 41.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.44 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.1 Cg_endo -75.03 163.99 34.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.35 13.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.91 -39.58 2.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.44 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 60.0 t -57.41 122.38 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.456 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 15.6 tt0 -90.84 126.68 36.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.41 144.46 44.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -104.87 133.85 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 50' ' ' PRO . 15.8 ttt180 -72.02 148.78 45.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 43.2 t -95.91 90.65 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -56.31 -29.41 61.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -62.8 -17.65 61.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.3 t -109.37 131.48 55.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.428 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 1.2 mt-30 -58.31 -68.22 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -52.09 160.49 1.19 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 43' ' ' ARG . 18.2 Cg_endo -75.0 110.32 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HB1' ' A' ' 79' ' ' ALA . 8.4 t80 -136.94 135.88 38.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -131.71 132.69 44.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' HB ' ' CD2' ' A' ' 126' ' ' LEU . 22.6 m -128.67 159.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.462 ' ND1' ' OE1' ' A' ' 129' ' ' GLN . 69.1 t60 -164.29 127.43 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.604 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.33 152.85 36.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -159.15 163.1 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.64 107.43 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -102.7 102.53 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.44 -79.16 1.94 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.29 23.67 0.45 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -129.0 176.62 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG2' ' C ' ' A' ' 90' ' ' SER . 26.4 t -105.64 137.71 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.574 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 11.8 mmt-85 -118.11 102.72 9.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 7.7 mt -92.07 149.92 21.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 60.1 m-85 -152.95 119.91 5.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.461 ' CE2' HG12 ' A' ' 53' ' ' VAL . 78.0 m-85 -121.54 154.13 37.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -142.91 122.64 13.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.635 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.2 t -128.22 111.23 19.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.94 -70.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -39.67 -30.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' A' ' 69' ' ' PRO . 0.4 OUTLIER 70.15 58.16 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.455 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -84.28 134.18 43.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -29.01 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -87.37 -15.23 38.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 72' ' ' ALA . 58.5 t -94.23 -42.39 12.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -71.63 -43.92 65.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.417 ' N ' ' HB2' ' A' ' 29' ' ' ALA . . . -41.44 -66.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.613 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 8.8 t80 -50.47 -59.76 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.578 ' HB1' ' CZ ' ' A' ' 51' ' ' PHE . . . -41.66 -47.09 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.471 ' CA ' HG23 ' A' ' 32' ' ' VAL . . . -65.4 -32.62 84.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -60.62 -33.46 72.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 2.6 mm? -68.45 -51.02 48.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HG2' ' CB ' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -72.61 -12.61 61.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -66.14 -36.12 82.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.471 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -141.19 56.22 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.485 ' CG ' ' O ' ' A' ' 82' ' ' LEU . 63.6 mt -156.09 -48.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.467 ' CB ' ' HG2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -54.25 124.37 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.48 -10.66 74.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 72.8 mm-40 -76.93 -174.08 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.502 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -92.62 161.84 31.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.011 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -11.26 21.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -95.04 -37.08 11.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 96' ' ' GLU . . . -75.87 -13.8 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.443 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 6.1 t -90.17 -36.22 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.478 HD11 ' CD ' ' A' ' 131' ' ' ARG . 4.1 mm? -73.49 -37.89 65.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 11.9 pt-20 -57.87 -16.41 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.526 ' CG1' HG13 ' A' ' 2' ' ' VAL . 4.1 t -76.44 120.16 80.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 166.74 28.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HB3' ' CD2' ' A' ' 124' ' ' LEU . 18.3 Cg_endo -75.02 -0.0 9.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.94 36.1 2.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 7.8 p90 -64.41 -25.87 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 39.8 p90 -80.44 -9.79 59.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -52.51 146.45 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 53.25 76.54 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 11.7 m-85 -171.14 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 108' ' ' GLU . . . 163.29 -45.77 0.33 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -39.51 -30.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.472 ' HA ' ' CD1' ' A' ' 116' ' ' LEU . 1.2 mt-10 -54.76 -59.77 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.249 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -32.62 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.568 ' CD1' HD13 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -57.58 -48.43 79.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 115' ' ' ARG . 83.4 m-85 -114.07 16.56 18.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.062 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 111' ' ' PHE . 3.0 p 54.16 166.71 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -9.54 20.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -88.06 -69.17 0.71 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -42.97 -26.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 108' ' ' GLU . 48.7 mt -76.13 -55.73 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 116' ' ' LEU . 18.8 mtt180 -38.36 -42.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -76.51 -41.3 25.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.613 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 30.7 mt -61.58 -48.04 82.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 119' ' ' LEU . 53.3 mt-10 -38.2 -47.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 46' ' ' GLU . . . -44.35 -48.89 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.32 -65.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 124' ' ' LEU . 0.7 OUTLIER -55.67 -61.77 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 123' ' ' LEU . 31.7 mt -38.91 -43.96 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 128' ' ' ALA . 8.5 mtp85 -65.86 -62.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.466 ' CD2' ' HB ' ' A' ' 53' ' ' VAL . 49.2 mt -42.34 -55.86 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 23.2 mt-30 -45.53 -37.54 5.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -72.77 -39.93 66.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.462 ' OE1' ' ND1' ' A' ' 54' ' ' HIS . 32.5 mt-30 -63.85 -31.46 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 133' ' ' ALA . 60.7 t -78.3 -58.72 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.478 ' CD ' HD11 ' A' ' 95' ' ' LEU . 6.2 mtt180 -41.18 -36.72 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 135' ' ' THR . 0.0 OUTLIER -63.12 -46.52 86.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -52.06 -48.68 64.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.3 mp -43.75 -41.3 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 132' ' ' LYS . 14.8 t -89.6 -27.02 20.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 132' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.497 0.189 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.496 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 44.9 t 61.93 141.78 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.01 173.13 15.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -74.98 -55.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -38.44 -37.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' ALA . 11.1 tp -86.61 -61.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -41.57 -33.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -49.63 71.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -63.54 -65.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 105' ' ' TYR . 60.9 mt -40.63 -53.69 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.39 -65.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' LEU . 15.9 tp -41.68 -48.26 4.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -55.06 -61.46 2.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -51.46 -30.66 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 t -78.94 -36.97 40.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' LEU . 21.8 mt -60.53 154.86 52.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.03 137.43 21.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 17' ' ' PRO . 4.6 ttmm -34.38 -69.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -34.09 -55.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ARG . 14.8 mt -63.54 -54.55 34.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' LEU . 8.1 mtt180 -35.08 -38.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 23' ' ' GLN . 26.4 p -65.33 -64.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' N ' ' OG ' ' A' ' 22' ' ' SER . 2.1 mm100 -47.22 -32.25 4.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.497 HG11 ' CE1' ' A' ' 28' ' ' TYR . 93.7 t -62.32 -66.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.525 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 64.8 mt -40.34 -36.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.1 mt -70.19 -53.34 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.34 -44.64 54.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 4.2 m-30 -52.84 -62.01 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -55.4 -32.37 62.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.57 74.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -81.66 -32.66 31.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -46.64 104.44 0.41 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 157.0 42.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.53 43.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.38 38.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.452 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 153.46 41.82 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.78 5.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.538 1.809 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.16 -20.73 9.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.452 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 40.1 t -79.22 123.87 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -89.31 125.82 35.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -111.2 147.26 35.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.56 130.6 52.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.86 147.17 53.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 51' ' ' PHE . 21.6 t -107.15 91.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -54.12 -33.44 57.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.611 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.99 -29.98 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.1 t -97.27 134.46 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.25 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -52.7 -47.54 67.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.4 p -77.4 159.51 77.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 75.26 3.75 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' VAL . 23.6 t80 -89.31 124.59 34.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -111.69 127.51 55.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.424 ' CG1' ' CE2' ' A' ' 51' ' ' PHE . 15.6 m -124.74 162.22 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -161.91 116.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.595 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' N ' ' OE1' ' A' ' 129' ' ' GLN . . . -111.53 132.93 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 5.1 m-20 -143.63 167.54 22.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.41 111.21 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -105.87 102.42 11.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.234 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.73 -75.14 2.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.64 22.5 0.41 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -134.48 154.53 51.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -96.82 126.03 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -96.32 107.11 19.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 83' ' ' ARG . 27.8 mt -82.49 136.39 34.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 55.9 m-85 -136.41 139.67 42.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.463 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 71.2 m-85 -147.86 142.33 26.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -130.53 112.17 12.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.6 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.41 112.65 37.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -65.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -50.06 -25.02 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 64.44 52.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.1 133.35 69.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -6.43 18.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.73 -32.2 12.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.8 t -88.12 -43.46 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 8.1 tttt -66.35 -46.52 76.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.419 ' N ' ' HB1' ' A' ' 29' ' ' ALA . . . -41.94 -58.68 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 119' ' ' LEU . 2.5 t80 -51.33 -53.73 33.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.463 ' HB1' ' CG ' ' A' ' 66' ' ' PHE . . . -45.43 -39.1 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.16 -35.8 47.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.442 HD21 ' CD1' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -68.83 -29.09 67.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.36 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 86.9 mt -70.1 -59.91 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 87' ' ' GLU . 2.2 ptt85 -60.16 -33.5 72.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.576 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 2.8 mm-40 -36.69 -55.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.516 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -127.07 51.23 0.86 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 57.6 mt -156.02 -45.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tt0 -65.19 118.59 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.05 -25.34 28.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -71.81 174.61 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.509 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.6 m -78.54 159.28 74.85 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.507 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 18.3 Cg_endo -75.02 -6.65 18.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.15 -35.5 18.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 96' ' ' GLU . . . -81.85 -26.03 34.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.534 ' CG2' HD22 ' A' ' 95' ' ' LEU . 4.4 m -75.93 -43.75 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.534 HD22 ' CG2' ' A' ' 94' ' ' VAL . 4.2 mm? -62.02 -38.35 88.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 1.8 pt-20 -58.06 -18.66 26.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 86' ' ' LEU . 38.7 t -72.03 116.12 45.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.528 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.98 174.3 13.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.41 12.51 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.81 55.07 0.6 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.653 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 8.1 p90 -75.84 -33.92 60.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 48.6 p90 -69.5 -28.08 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -42.71 128.03 4.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 73.6 77.34 0.62 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 3.5 m-85 -175.69 -47.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 0.739 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 154.46 -39.09 0.66 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.468 ' CD1' ' CD2' ' A' ' 10' ' ' LEU . 10.6 mt -49.09 -56.03 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -40.17 -40.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -77.94 -57.87 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.72 -66.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.525 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 84.2 m-85 -81.89 141.87 32.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 40.1 p -60.99 156.24 49.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -19.0 18.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.62 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 118' ' ' GLY . 8.1 mtm-85 -62.71 -43.12 99.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.4 mt -43.48 -47.32 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -53.16 -39.42 63.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -74.5 -39.37 42.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 38.1 mt -62.21 -58.01 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 123' ' ' LEU . 12.8 mt-10 -43.3 -50.52 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -34.14 -46.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.23 -53.93 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.528 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 15.2 tp -60.06 -45.29 93.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.406 HD21 ' O ' ' A' ' 120' ' ' GLU . 2.5 mm? -56.0 -51.71 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 128' ' ' ALA . 18.3 mtp85 -64.02 -59.88 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.7 mt -44.66 -54.05 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 95' ' ' LEU . 57.2 mt-30 -53.85 -33.94 57.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -72.63 -28.09 62.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.411 ' OE1' ' N ' ' A' ' 55' ' ' ALA . 95.4 mt-30 -80.81 -23.58 39.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 91' ' ' PRO . 61.5 t -82.65 -62.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.456 ' CD ' HD13 ' A' ' 95' ' ' LEU . 2.5 mtt180 -38.4 -38.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 133' ' ' ALA . 2.4 pttt -71.01 -50.32 35.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 132' ' ' LYS . . . -51.8 -39.01 57.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 91' ' ' PRO . 14.7 mt -54.02 -42.01 68.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.2 t -107.23 19.15 20.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 132' ' ' LYS . 54.8 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.497 0.189 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.497 ' CG1' HD22 ' A' ' 6' ' ' LEU . 12.4 t -119.72 140.93 30.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.99 168.69 24.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.98 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -39.84 -46.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.497 HD22 ' CG1' ' A' ' 2' ' ' VAL . 14.8 tp -78.58 -58.26 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -41.4 -33.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -48.21 66.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -64.02 -51.41 64.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 105' ' ' TYR . 40.7 mt -54.07 -62.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -51.39 -48.97 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -53.53 -68.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 36.4 t80 -40.33 -61.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -46.13 -33.39 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' LEU . 5.7 t -77.74 -38.54 46.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' PHE . 16.4 mt -55.2 154.51 10.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -74.99 134.53 17.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 17' ' ' PRO . 9.0 tttm -35.36 -68.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.5 pt-20 -35.03 -48.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 15.4 mt -69.49 -51.92 31.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.6 mtm180 -43.46 -35.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.38 -51.52 69.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -69.89 -34.42 73.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 67.7 t -55.63 -69.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.55 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 82.7 mt -41.79 -40.91 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.55 -52.84 62.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.9 mt-10 -49.91 -57.77 6.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.0 m-85 -35.2 -57.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.06 -45.5 61.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -62.41 -25.99 68.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HZ1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -79.59 -33.53 41.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.43 ' CG2' ' CA ' ' A' ' 80' ' ' GLY . 79.2 t -52.23 107.24 0.79 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.03 161.46 38.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 153.49 41.7 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 142.45 27.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.444 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 163.36 35.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.28 18.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.81 -25.03 27.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.444 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 54.5 t -68.72 130.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.7 116.34 32.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.69 145.01 32.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -108.1 136.24 48.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.91 146.31 54.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' PHE . 70.5 t -103.03 91.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -43.59 68.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.605 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.445 ' CB ' ' CB ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -43.64 -30.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.8 t -98.72 131.15 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.294 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -53.61 -46.7 70.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.0 p -72.93 157.59 88.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 67.02 5.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' VAL . 13.5 t80 -88.29 119.5 28.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -100.35 167.02 10.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.633 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -160.43 170.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.435 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 61.0 t60 -165.39 157.29 14.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.29 130.8 16.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD2' ' NE2' ' A' ' 54' ' ' HIS . 79.8 m-20 -148.71 161.33 41.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.6 t -121.1 105.81 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -97.61 102.51 14.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.95 -78.26 1.71 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.84 20.46 0.78 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -132.07 150.78 52.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -92.43 121.42 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 7.5 mmt180 -93.49 103.07 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 59.6 mt -86.43 146.29 26.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 69.0 m-85 -147.94 151.18 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 53' ' ' VAL . 67.7 m-85 -152.85 150.48 29.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -135.33 112.38 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.581 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.419 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 2.2 t -113.1 110.62 51.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -75.01 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.57 -27.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' PRO . 3.0 mt-10 70.66 35.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.04 131.29 95.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.08 17.62 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.9 p -95.74 -41.97 8.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.87 -41.88 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 2.7 tttt -67.18 -42.15 84.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.76 -66.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 1.2 t80 -50.9 -53.39 33.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.33 -33.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.43 ' CA ' ' CG2' ' A' ' 32' ' ' VAL . . . -79.0 -44.01 10.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.55 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -62.02 -29.63 70.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD13 ' CE2' ' A' ' 66' ' ' PHE . 78.3 mt -66.77 -66.36 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 33' ' ' PRO . 5.8 ptt85 -60.54 -19.94 58.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.563 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 4.8 mm-40 -54.18 -57.9 9.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.462 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -120.69 52.07 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 64.9 mt -155.5 -46.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.26 117.99 6.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.44 -18.84 54.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -72.23 -171.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.27 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 p -95.13 157.87 35.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 130' ' ' VAL . 18.4 Cg_endo -74.94 -18.92 18.48 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.478 1.778 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.43 -36.25 63.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.97 -36.62 23.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.64 -18.39 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.481 HD23 ' CA ' ' A' ' 127' ' ' GLN . 9.1 mt -93.95 -39.65 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.62 -10.57 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.459 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 28.3 t -77.71 127.98 80.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.06 168.46 24.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -4.53 15.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -136.99 55.18 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 6.6 p90 -80.56 -14.72 57.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.789 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.509 ' CE1' HD22 ' A' ' 116' ' ' LEU . 52.6 p90 -88.93 -16.04 32.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -53.09 127.21 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.82 76.89 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.559 ' CE2' HD11 ' A' ' 10' ' ' LEU . 6.1 m-85 -167.36 -49.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.781 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.84 -53.05 0.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.57 -47.45 63.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.05 -34.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.32 -60.04 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -41.41 -68.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -69.12 143.37 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.9 p -64.82 161.26 47.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -7.3 19.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.93 -65.33 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 118' ' ' GLY . 16.8 mtt180 -52.41 -40.69 62.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.509 HD22 ' CE1' ' A' ' 102' ' ' TYR . 9.0 mt -44.62 -41.72 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -52.93 -42.37 65.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -69.02 -28.49 72.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.59 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 33.4 mt -66.32 -53.24 38.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 0.802 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.88 -46.92 64.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.445 ' CB ' ' CB ' ' A' ' 46' ' ' GLU . . . -46.27 -35.2 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 125' ' ' ARG . . . -56.76 -73.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.489 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 1.6 tm? -42.26 -53.23 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.5 mt -42.8 -54.36 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 122' ' ' ALA . 18.6 mtt-85 -50.82 -71.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.513 ' CD1' HG13 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -38.18 -63.88 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.489 ' HG3' ' CD2' ' A' ' 123' ' ' LEU . 31.6 mt-30 -39.98 -42.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -68.16 -43.13 78.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 126' ' ' LEU . 91.9 mt-30 -66.72 -56.04 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 91' ' ' PRO . 97.2 t -43.29 -48.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 134' ' ' LEU . 10.7 mtt-85 -41.62 -48.57 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -64.66 -39.05 93.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -68.16 -30.59 69.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.536 ' CD1' ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -83.28 -50.48 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 131' ' ' ARG . 13.0 t -86.82 20.96 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 132' ' ' LYS . 12.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.466 0.174 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.496 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 21.7 t 64.85 141.29 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.03 176.21 10.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLN . 18.2 Cg_endo -74.99 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' O ' ' OE2' ' A' ' 84' ' ' GLU . 2.8 mttt -50.55 -42.05 54.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -75.74 -62.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -29.14 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' PRO . 16.8 mt-30 -65.82 -50.86 63.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' CB ' ' CD ' ' A' ' 84' ' ' GLU . . . -57.34 -53.11 61.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 53.2 mt -50.61 -70.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -48.33 -49.11 35.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' LEU . 41.4 tp -55.17 -47.23 75.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 1.5 t80 -51.96 -61.99 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -60.02 -15.71 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -94.12 -17.98 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' LEU . 34.0 mt -81.06 158.37 70.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.4 Cg_endo -74.98 136.23 20.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.0 OUTLIER -36.04 -69.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.2 pt-20 -35.96 -44.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 14.4 mt -74.18 -49.15 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' LYS . 31.1 mtt180 -38.23 -30.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.4 t -66.28 -52.54 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' LEU . 6.0 pt20 -61.92 -37.74 85.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.401 HG12 ' CE2' ' A' ' 28' ' ' TYR . 70.1 t -45.44 -46.81 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.572 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 86.0 mt -63.55 -48.33 77.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.48 -56.21 24.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 28' ' ' TYR . 2.1 mt-10 -41.97 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' LYS . 11.1 m-85 -35.65 -62.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.14 -57.57 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.77 -27.95 8.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -92.23 36.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.51 ' CG2' ' CA ' ' A' ' 80' ' ' GLY . 39.9 t -138.07 92.19 12.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.54 41.99 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.569 1.826 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.61 41.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.449 ' HB2' HG12 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 160.68 39.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.523 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.01 170.35 20.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.19 20.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.37 55.42 0.76 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 36' ' ' PRO . 3.4 p -161.06 150.47 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -126.27 112.61 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -80.92 168.11 19.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.377 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 125' ' ' ARG . 29.5 tt0 -115.71 100.54 8.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' NH1' ' CE1' ' A' ' 45' ' ' HIS . 8.3 ttp85 -49.35 127.55 15.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.8 t -90.03 100.8 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.429 ' CE1' ' NH1' ' A' ' 43' ' ' ARG . 14.6 m-70 -62.5 -37.25 85.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -37.96 17.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.64 114.39 26.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -39.52 -57.38 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -59.36 155.11 38.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 70.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -91.75 105.4 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.517 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 5.2 m-85 -96.2 140.68 30.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 ' HB ' ' CD2' ' A' ' 126' ' ' LEU . 17.2 m -136.13 160.81 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.502 ' HB3' ' CB ' ' A' ' 65' ' ' TYR . 69.8 t60 -158.2 128.26 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' HB2' ' CG2' ' A' ' 130' ' ' VAL . . . -127.31 128.05 45.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -130.16 176.0 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.3 t -132.94 100.36 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -96.66 101.66 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.54 -89.57 1.54 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.59 7.33 3.05 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -111.77 174.25 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.508 ' CG1' ' C ' ' A' ' 90' ' ' SER . 0.6 OUTLIER -109.87 125.17 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -87.18 122.46 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.501 ' CD2' ' HA ' ' A' ' 83' ' ' ARG . 4.7 mp -97.27 130.79 44.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.502 ' CB ' ' HB3' ' A' ' 54' ' ' HIS . 22.4 m-85 -142.42 119.89 11.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' O ' ' HD3' ' A' ' 35' ' ' PRO . 62.4 m-85 -124.53 126.3 45.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.457 ' ND1' ' C ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -110.76 123.53 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.1 t -133.95 112.82 12.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -63.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -33.22 72.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.04 67.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 76' ' ' LYS . . . -86.18 132.68 42.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -5.65 17.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.39 -39.87 9.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.1 t -81.5 -42.57 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 32' ' ' VAL . 19.0 tttt -63.74 -38.11 89.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.33 -68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -45.92 -52.07 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.9 -47.44 8.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.51 ' CA ' ' CG2' ' A' ' 32' ' ' VAL . . . -66.75 -44.66 88.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -59.03 -24.09 62.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.603 ' CD2' ' CZ ' ' A' ' 101' ' ' PHE . 42.3 mt -82.5 -45.76 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.501 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 4.5 ttt180 -74.09 -20.64 60.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -58.0 -38.46 76.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.453 ' O ' ' HG ' ' A' ' 86' ' ' LEU . . . -133.2 55.66 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.514 ' CG ' ' O ' ' A' ' 82' ' ' LEU . 93.2 mt -156.39 -43.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.492 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 7.4 tp10 -46.5 115.73 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 89' ' ' GLU . . . 95.01 -27.91 13.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.471 ' CG ' ' HA ' ' A' ' 86' ' ' LEU . 6.6 mm-40 -49.51 -177.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.508 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 2.0 p -100.76 161.52 23.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.06 -7.56 19.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.95 -38.47 16.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.75 -36.72 21.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.434 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 54.6 t -68.05 -17.18 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.483 HD22 ' CA ' ' A' ' 127' ' ' GLN . 8.4 mt -94.1 -43.76 8.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -58.45 -18.01 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.94 121.88 65.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 160.81 39.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.494 ' HB3' ' CD2' ' A' ' 124' ' ' LEU . 18.3 Cg_endo -74.97 -2.13 12.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -125.58 33.55 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CZ ' ' CD2' ' A' ' 82' ' ' LEU . 22.2 p90 -65.01 -15.27 62.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.58 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 38.3 p90 -96.81 -26.81 14.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.92 126.16 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 72.16 77.65 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 6.5 m-85 -171.74 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 109' ' ' GLU . . . 153.27 -36.39 0.76 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.584 ' CD1' ' CE2' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -39.31 -61.0 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -50.67 -39.93 52.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 106' ' ' GLY . 1.6 tt0 -57.02 -36.61 70.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -90.98 -45.17 8.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.572 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 62.7 m-85 -95.89 123.3 39.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.424 ' OG1' ' HD2' ' A' ' 113' ' ' PRO . 0.0 OUTLIER -50.58 155.58 1.82 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.424 ' HD2' ' OG1' ' A' ' 112' ' ' THR . 18.2 Cg_endo -74.97 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.97 -43.98 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -68.43 -38.5 81.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.58 ' CD1' ' CE2' ' A' ' 102' ' ' TYR . 3.7 mm? -55.11 -50.01 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' LEU . 14.9 mtt180 -38.04 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' LEU . . . -91.71 -56.05 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.552 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 2.0 mp -38.85 -43.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 123' ' ' LEU . 36.4 mt-10 -55.52 -56.22 22.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -38.67 -35.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -52.28 -56.47 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 120' ' ' GLU . 13.7 tp -59.84 -61.18 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.494 ' CD2' ' HB3' ' A' ' 99' ' ' PRO . 1.4 mm? -45.47 -51.35 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 42' ' ' GLU . 26.8 mtt-85 -53.87 -64.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' A' ' 53' ' ' VAL . 5.5 mt -48.41 -49.61 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.483 ' CA ' HD22 ' A' ' 95' ' ' LEU . 78.5 mt-30 -55.82 -28.35 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.83 -25.49 35.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -77.77 -36.58 50.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 133' ' ' ALA . 99.3 t -65.63 -45.41 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -47.59 -25.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -81.84 -37.17 27.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -66.67 -36.29 82.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.32 -45.08 80.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.0 t -76.61 -0.3 22.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.527 0.203 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 39.1 t -47.72 141.35 7.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.486 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.98 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.94 -56.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' PRO . 11.3 mmmt -38.2 -32.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -88.42 -62.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -43.23 -31.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -44.6 60.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -64.53 -58.72 5.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 105' ' ' TYR . 46.2 mt -47.55 -56.27 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -58.7 -64.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' LEU . 44.0 tp -44.08 -55.61 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -48.05 -63.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -49.42 -25.7 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -37.91 21.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' LEU . 26.2 mt -51.43 156.6 2.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.03 134.26 17.54 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.2 ptmt -34.1 -67.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -35.4 -53.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 17' ' ' PRO . 36.6 mt -65.86 -43.5 88.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.492 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 1.2 mtm105 -49.2 -21.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -31.58 23.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.514 ' CG ' ' N ' ' A' ' 24' ' ' VAL . 1.2 pt20 -79.09 -48.44 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.514 ' N ' ' CG ' ' A' ' 23' ' ' GLN . 4.0 p -49.17 -54.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.1 mt -45.99 -37.36 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.81 -48.06 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' ALA . 3.6 mt-10 -48.54 -59.62 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 84' ' ' GLU . 7.6 m-30 -38.69 -65.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -50.48 -32.05 17.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -66.77 -36.02 81.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.497 ' NZ ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -76.57 -36.93 57.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' LYS . 55.1 t -39.58 99.05 0.19 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 156.18 43.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.42 41.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.09 42.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.82 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.98 167.41 27.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.46 4.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . 125.84 -59.15 0.66 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 36' ' ' PRO . 6.6 p -39.18 136.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.78 120.57 42.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -92.79 144.36 25.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -106.58 121.96 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.419 ' NH1' ' CE1' ' A' ' 45' ' ' HIS . 18.8 ttp85 -62.04 138.35 58.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' PHE . 46.8 t -96.41 91.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.419 ' CE1' ' NH1' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -50.91 -42.24 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.628 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -42.51 -33.26 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.25 133.8 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.04 -41.61 75.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.5 p -76.6 156.25 83.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.394 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 74.48 4.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.557 1.819 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -88.09 116.97 26.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 8.9 m-85 -107.2 151.5 25.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.579 HG23 ' CD1' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -159.96 171.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -165.4 123.8 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.99 139.96 44.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -149.21 172.2 15.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.7 t -125.35 111.65 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.94 124.63 26.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.96 35.81 90.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.62 6.67 51.14 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -107.62 177.71 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.477 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 21.5 t -111.25 115.87 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -82.92 105.42 13.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 62' ' ' VAL . 5.8 mp -92.48 136.05 33.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 58.4 m-85 -139.77 119.7 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.579 ' CD1' HG23 ' A' ' 53' ' ' VAL . 74.3 m-85 -123.81 149.77 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -149.59 115.85 5.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.632 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.8 t -120.68 116.98 31.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.05 -67.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -26.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 69' ' ' PRO . 3.9 mt-10 70.6 31.57 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.93 129.85 85.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.453 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.05 -6.09 17.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.5 p -96.61 -39.31 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.413 HG11 ' CD2' ' A' ' 51' ' ' PHE . 38.2 t -80.15 -39.84 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 6.9 tttt -71.21 -48.83 49.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 73' ' ' PRO . . . -40.87 -63.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CD2' ' HG ' ' A' ' 119' ' ' LEU . 8.7 t80 -51.36 -52.07 48.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.41 -42.1 6.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.08 -28.46 71.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 78' ' ' PHE . 1.3 tm? -66.51 -41.24 89.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 2.9 mm? -59.8 -53.66 55.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -16.66 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 28' ' ' TYR . 4.0 mm-40 -73.81 -22.76 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.512 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -145.53 41.53 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 54.5 mt -154.87 -45.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 6.9 tt0 -52.85 116.28 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.55 3.39 71.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.473 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 76.2 mm-40 -87.8 178.06 6.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.425 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 2.0 p -89.31 160.21 42.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.949 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.52 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -7.99 19.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.25 -35.95 12.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.97 -32.89 59.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 t -70.21 -42.95 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 91' ' ' PRO . 4.3 mm? -61.82 -29.03 69.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.34 -42.28 96.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.456 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 20.1 t -52.69 107.35 0.82 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.507 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.97 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.451 1.763 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.9 10.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -127.79 32.43 3.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.52 ' CD2' HD12 ' A' ' 6' ' ' LEU . 14.1 p90 -75.86 -14.28 60.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE2' ' CD ' ' A' ' 120' ' ' GLU . 39.8 p90 -89.77 -31.45 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -45.15 130.75 7.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.55 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 70.31 77.52 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.578 ' CE2' HD11 ' A' ' 10' ' ' LEU . 4.1 m-85 -174.78 -47.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.38 -39.68 0.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 10' ' ' LEU . 1.4 mt -49.47 -36.27 22.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -52.32 -61.24 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.78 -59.92 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -40.37 -71.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -80.72 120.69 24.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.8 p -51.03 163.84 0.48 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.441 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.69 17.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.46 -51.9 5.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -32.88 70.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.7 mt -52.13 -48.25 64.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -39.85 -58.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.18 -48.56 82.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.577 ' HG ' ' CD2' ' A' ' 78' ' ' PHE . 1.5 mp -46.98 -48.08 21.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.433 ' CD ' ' CE2' ' A' ' 102' ' ' TYR . 31.1 mm-40 -59.64 -46.35 89.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.462 ' HA ' ' CD1' ' A' ' 124' ' ' LEU . . . -41.01 -50.18 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 126' ' ' LEU . . . -41.51 -71.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 62.2 tp -40.92 -50.38 3.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 7.8 mt -53.11 -44.36 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 122' ' ' ALA . 10.8 mmp_? -60.44 -69.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.516 HD13 ' CG1' ' A' ' 53' ' ' VAL . 0.6 OUTLIER -39.56 -64.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 95' ' ' LEU . 50.2 mt-30 -41.65 -43.27 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.41 98.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 126' ' ' LEU . 7.9 mt-30 -74.64 -60.35 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 129' ' ' GLN . 59.2 t -38.52 -49.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 8.8 mtp180 -46.05 -61.5 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -49.66 -37.22 27.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.439 ' N ' ' HD3' ' A' ' 132' ' ' LYS . . . -66.69 -32.67 74.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -82.49 -46.97 12.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.491 ' CG2' HD11 ' A' ' 134' ' ' LEU . 1.9 p -79.65 48.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.564 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 30.8 mtp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.491 0.186 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.564 ' CG2' ' O ' ' A' ' 1' ' ' MET . 2.6 m 56.5 160.05 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 173.75 13.95 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.06 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -38.66 -31.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' PRO . 18.2 tp -88.58 -67.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 11.1 tptt -39.43 -32.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -76.39 -56.78 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.56 -46.35 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.621 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 32.7 mt -66.14 -64.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -41.34 -39.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' LEU . 55.1 tp -70.35 -43.54 69.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CE1' HG13 ' A' ' 24' ' ' VAL . 62.9 t80 -51.02 -47.49 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -62.24 -43.9 97.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 t -68.18 -30.69 69.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' LEU . 14.8 mt -58.77 151.98 50.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.0 139.24 24.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' ARG . 49.6 tttt -34.95 -68.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -34.16 -54.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' GLN . 13.6 mt -65.64 -44.89 85.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 11.9 mtt180 -48.22 -22.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -87.15 -32.5 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.028 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.5 mm100 -76.91 -48.83 17.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.582 ' CG1' ' HA ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -44.03 -58.63 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.521 HD21 ' CE2' ' A' ' 111' ' ' PHE . 77.5 mt -42.57 -44.11 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.43 -49.26 56.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.8 mt-10 -45.71 -55.23 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.584 ' CE1' ' HG3' ' A' ' 84' ' ' GLU . 14.5 m-85 -41.16 -53.7 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.83 -38.15 64.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -68.7 -26.08 65.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.3 43.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.511 ' CG2' ' CA ' ' A' ' 80' ' ' GLY . 75.8 t -133.94 97.79 15.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.04 166.22 29.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.91 42.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 160.46 40.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -75.0 162.78 36.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 3.05 5.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.09 66.12 0.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.522 ' CG1' ' HD2' ' A' ' 36' ' ' PRO . 10.7 p -157.99 134.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.55 115.99 31.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.22 146.71 24.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -105.31 142.51 34.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.456 ' NH2' ' O ' ' A' ' 47' ' ' CYS . 1.9 tpt180 -76.62 128.64 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.7 t -95.76 88.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.442 ' HA ' ' NH2' ' A' ' 43' ' ' ARG . 25.4 m-70 -55.18 -36.1 65.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.541 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -42.4 63.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.456 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -77.95 114.39 16.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.334 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -39.14 -44.58 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.3 p -81.66 159.74 65.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 77.02 3.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -89.25 142.18 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -131.7 134.67 46.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.562 HG23 ' CD1' ' A' ' 66' ' ' PHE . 2.9 p -146.7 161.62 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.465 ' CD2' HG21 ' A' ' 39' ' ' VAL . 86.6 t60 -145.68 131.29 18.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.31 134.32 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 63' ' ' ARG . 23.5 m-20 -164.48 166.75 20.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.624 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -136.0 127.79 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.33 101.79 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.13 -82.22 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.79 20.54 0.69 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 23.9 mttt -137.06 150.35 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.466 ' CG1' ' C ' ' A' ' 90' ' ' SER . 0.8 OUTLIER -97.57 126.59 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.539 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -94.32 114.88 27.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' CD1' ' CB ' ' A' ' 86' ' ' LEU . 16.7 mt -97.51 141.49 30.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 87.7 m-85 -142.81 128.87 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CD1' HG23 ' A' ' 53' ' ' VAL . 85.3 m-85 -125.1 159.31 31.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -155.0 120.51 5.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.0 t -126.72 114.65 22.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.99 -66.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.768 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -46.76 -26.56 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 69' ' ' PRO . 3.0 mt-10 67.56 53.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.7 133.26 62.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.81 14.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.534 1.807 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 p -86.01 -25.58 25.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.3 t -88.27 -48.44 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -63.31 -44.61 94.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.7 -60.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 15.2 t80 -52.49 -51.29 60.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.07 -52.18 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.511 ' CA ' ' CG2' ' A' ' 32' ' ' VAL . . . -63.86 -30.6 78.18 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.573 ' HB2' ' CD2' ' A' ' 28' ' ' TYR . 1.5 tp -76.39 -27.62 56.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 78' ' ' PHE . 97.2 mt -74.46 -48.1 29.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -74.67 -18.57 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.584 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 3.2 mm-40 -55.91 -40.66 73.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -130.17 49.04 0.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.503 ' CB ' ' CD1' ' A' ' 64' ' ' LEU . 79.0 mt -154.62 -44.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 113.33 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.94 28.1 32.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 62' ' ' VAL . 77.6 mm-40 -104.94 -173.91 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.466 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 11.2 p -94.02 158.01 36.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -10.18 21.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.76 -35.96 12.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.93 -35.55 57.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 40.9 t -72.05 -17.17 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.454 ' HA ' ' NE2' ' A' ' 127' ' ' GLN . 11.1 mt -94.49 -28.59 15.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.57 -6.16 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.513 ' CG1' HG13 ' A' ' 2' ' ' VAL . 3.3 t -83.07 117.28 68.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 174.76 12.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.94 14.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.02 54.09 0.71 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 3.4 p90 -83.0 -8.67 59.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.558 ' CE2' HD22 ' A' ' 116' ' ' LEU . 42.2 p90 -103.66 -45.24 4.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.528 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 67.2 mtp180 -35.38 121.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' TYR . . . 129.8 -73.49 0.46 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 37.8 m-85 -36.91 -64.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 0.731 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.83 62.76 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -101.18 -26.51 13.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.02 -43.11 99.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -44.97 -30.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -99.78 -49.58 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.521 ' CE2' HD21 ' A' ' 25' ' ' LEU . 27.6 m-85 -91.77 118.04 30.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 p -46.85 158.41 0.42 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -8.9 20.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -91.61 -60.99 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -51.98 -37.22 52.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' A' ' 102' ' ' TYR . 6.0 mt -47.56 -52.19 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -38.73 -45.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -67.47 -55.69 14.31 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 90.4 mt -42.41 -61.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 123' ' ' LEU . 36.1 mt-10 -46.65 -59.17 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -34.68 -47.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.76 -54.26 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' GLU . 6.5 tp -60.73 -48.86 79.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.465 ' N ' HD21 ' A' ' 124' ' ' LEU . 2.1 mm? -51.75 -46.01 63.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 128' ' ' ALA . 8.8 mtt85 -63.48 -57.63 9.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.535 HD23 ' CG1' ' A' ' 53' ' ' VAL . 4.7 mt -49.18 -44.82 43.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 21.0 mt-30 -64.87 -25.43 67.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.8 -20.32 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -92.0 -34.19 14.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ALA . 75.3 t -59.97 -54.97 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -43.65 -28.71 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' SER . 22.6 mmmt -70.61 -41.54 72.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.624 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -58.27 -45.43 87.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.3 mp -47.57 -39.18 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.0 t -116.57 26.72 9.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' LYS . 5.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.572 0.225 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 45.7 t -70.11 141.55 89.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.5 Cg_endo -74.96 174.45 12.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.96 -59.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -40.73 -29.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -87.07 -66.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -43.74 -30.38 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -55.92 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.59 -51.45 69.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 105' ' ' TYR . 72.1 mt -54.75 -53.49 54.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.79 -51.84 68.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 16' ' ' LEU . 43.4 tp -55.23 -48.52 73.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CZ ' HD22 ' A' ' 25' ' ' LEU . 45.8 t80 -54.4 -58.78 6.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -60.41 -19.07 54.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.1 t -86.7 -30.89 21.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 28.7 mt -70.13 158.52 87.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.4 Cg_endo -74.98 136.27 20.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' PRO . 2.1 ttmm -36.13 -69.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 6.8 pt-20 -35.36 -44.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 13.2 mt -72.74 -51.31 19.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' LYS . 14.5 mtt180 -37.17 -34.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -54.16 49.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.2 pt20 -65.71 -39.47 91.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.0 t -48.29 -62.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.559 HD22 ' CZ ' ' A' ' 13' ' ' PHE . 24.1 mt -45.62 -39.7 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.0 mm? -68.25 -51.56 43.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.8 mt-10 -47.47 -50.48 23.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.1 m-85 -43.83 -55.49 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -55.72 -32.8 63.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -67.57 -25.23 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.32 39.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.3 100.63 35.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.81 42.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 155.58 43.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 160.24 40.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 147.29 33.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.76 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 58.48 4.93 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.18 39.26 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 69.9 t -143.96 135.12 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.423 0.719 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -95.57 123.16 38.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mp -109.66 152.07 26.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.58 124.94 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 23.2 ttp180 -63.74 147.77 50.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.9 t -98.89 91.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -24.59 64.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -29.38 69.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.435 ' C ' ' CG ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -102.18 -16.57 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.435 ' CG ' ' C ' ' A' ' 47' ' ' CYS . 1.5 mt-30 76.64 -59.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.0 p -41.37 160.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 63.48 6.04 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -108.65 105.11 14.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 43' ' ' ARG . 2.1 m-85 -105.13 132.47 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.5 m -128.57 157.59 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.405 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 83.1 t60 -149.58 115.52 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.457 ' CB ' HD23 ' A' ' 126' ' ' LEU . . . -105.77 130.29 53.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 22.8 m-20 -156.88 164.63 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.559 HG12 ' CB ' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -135.73 123.73 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.91 111.55 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.61 -82.54 1.58 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.93 22.38 0.6 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -136.98 152.32 50.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 89' ' ' GLU . 59.0 t -91.85 146.7 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.578 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 2.3 mmt180 -119.25 102.55 8.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 83' ' ' ARG . 9.0 mt -81.71 138.04 35.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 66.7 m-85 -141.18 120.02 12.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -124.06 138.81 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -132.07 111.61 11.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.574 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.472 HG12 ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -138.57 111.73 8.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.01 -65.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' PRO . 35.4 t70 -37.42 -31.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' PRO . 2.8 mt-10 69.68 30.73 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.4 124.14 31.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -8.19 19.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -96.46 -25.17 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.2 t -94.1 -38.34 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.472 ' HG3' HG12 ' A' ' 68' ' ' VAL . 2.7 tttt -72.08 -40.9 67.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.06 -51.21 1.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.535 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.5 t80 -64.04 -53.69 45.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 78' ' ' PHE . . . -40.12 -49.42 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -63.31 -34.74 90.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' PHE . 2.1 tp -63.65 -37.21 86.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 3.2 mm? -69.16 -56.95 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.476 ' HG3' ' CB ' ' A' ' 87' ' ' GLU . 58.8 ttt-85 -63.82 -24.33 67.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -48.56 -45.99 38.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -143.27 61.07 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 56.1 mt -156.1 -45.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.77 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -58.7 125.17 22.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.02 -21.87 34.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 18.5 mm-40 -71.2 173.01 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.504 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 1.7 m -80.88 158.9 69.87 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.513 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 18.5 Cg_endo -75.01 -9.7 20.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.77 -35.45 17.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.99 -32.21 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.513 ' CG2' ' HA ' ' A' ' 91' ' ' PRO . 13.0 m -68.05 -47.95 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.49 ' CD1' HD22 ' A' ' 134' ' ' LEU . 2.7 mt -59.22 -34.16 71.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -58.13 -23.3 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.431 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 50.9 t -69.72 113.43 17.24 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 167.2 27.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.25 12.28 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.81 24.84 5.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -63.62 -28.93 70.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 103' ' ' ARG . 37.6 p90 -78.85 -41.04 31.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -48.94 127.46 14.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.55 -46.18 1.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.568 1.168 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 10' ' ' LEU . 82.4 m-85 -78.17 50.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 105' ' ' TYR . . . 30.95 54.32 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 102' ' ' TYR . 3.5 mt -101.13 -40.73 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -63.41 -33.08 74.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.53 -24.1 2.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -105.01 -49.05 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 67.4 m-85 -87.31 125.09 34.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 p -57.55 162.86 4.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.443 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.19 19.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.14 -48.98 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -62.31 -40.63 96.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 108' ' ' GLU . 16.9 mt -53.46 -49.06 68.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -48.44 -32.4 7.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -86.23 -39.39 7.91 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.526 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 15.1 mt -59.55 -57.64 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.49 ' CD ' ' CE1' ' A' ' 102' ' ' TYR . 28.1 mm-40 -44.79 -43.91 8.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -42.33 -39.48 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.82 -60.69 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.86 -52.94 61.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.7 mt -50.04 -50.64 46.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 128' ' ' ALA . 23.3 mtt-85 -60.57 -65.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 55' ' ' ALA . 16.4 mt -44.33 -52.07 7.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 37.5 mt-30 -59.27 -33.76 71.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -69.29 -16.5 63.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -95.43 -23.53 17.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' CB ' ' A' ' 91' ' ' PRO . 94.3 t -76.75 -43.19 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.419 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 11.4 mtt180 -45.75 -25.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -86.47 -42.49 13.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.559 ' CB ' HG12 ' A' ' 57' ' ' VAL . . . -66.14 -33.38 75.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -69.23 -48.9 60.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.468 ' N ' ' CD1' ' A' ' 134' ' ' LEU . 5.5 t -79.45 -4.99 53.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 96' ' ' GLU . 3.0 ttt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.478 0.18 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 21.5 t -151.94 141.07 14.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.486 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 174.82 12.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.2 Cg_endo -75.06 -59.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -36.07 -35.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -87.01 -65.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.17 -31.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -57.39 13.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.9 -66.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 93.5 mt -42.28 -64.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -43.36 -49.1 7.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 16' ' ' LEU . 12.1 tp -62.21 -35.58 79.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 25' ' ' LEU . 5.8 t80 -59.69 -64.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -57.89 -18.71 24.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 t -85.34 -38.14 19.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' LEU . 28.8 mt -70.23 159.04 86.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -74.98 136.23 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' GLU . 7.7 tttp -34.83 -68.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -33.88 -57.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ARG . 14.7 mt -58.06 -57.41 12.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LEU . 13.7 mtt180 -36.58 -39.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -56.69 -55.25 36.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LEU . 4.4 pt20 -66.68 -37.94 85.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.429 HG13 ' CE1' ' A' ' 28' ' ' TYR . 74.0 t -49.47 -57.66 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 13' ' ' PHE . 39.6 mt -50.36 -42.04 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 73' ' ' PRO . 6.7 mt -61.42 -37.41 83.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.63 -44.97 80.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.429 ' CE1' HG13 ' A' ' 24' ' ' VAL . 3.5 m-85 -53.49 -24.24 12.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -89.02 -27.07 21.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.15 -19.49 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.59 -32.4 18.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.403 ' CG2' ' CA ' ' A' ' 80' ' ' GLY . 33.1 t -44.66 103.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.84 40.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.11 39.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.432 1.754 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.79 39.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 154.35 42.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.776 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.36 9.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.27 -21.58 21.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 5.9 t -76.5 133.53 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -99.13 133.19 43.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mp -117.97 147.08 43.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -100.62 145.35 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 16.5 ttp180 -80.96 146.58 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.407 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 64.9 t -100.58 90.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -53.87 -33.09 55.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' CB ' ' CB ' ' A' ' 121' ' ' ALA . 1.8 tp10 -54.65 -24.84 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.1 t -113.79 121.12 43.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -50.96 -48.46 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.9 p -58.89 155.84 29.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.79 4.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 3.9 t80 -97.24 114.26 25.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -104.08 144.57 31.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.038 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.58 ' CG2' HD21 ' A' ' 126' ' ' LEU . 2.1 m -144.38 163.83 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.456 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 63.5 t60 -165.35 123.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.648 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' CB ' HG23 ' A' ' 130' ' ' VAL . . . -116.47 138.84 51.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 63' ' ' ARG . 15.6 m-20 -164.56 171.76 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.612 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -135.98 122.01 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.66 108.93 19.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.07 -82.29 1.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.44 20.97 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.1 mtmm -136.24 152.31 50.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG2' ' C ' ' A' ' 90' ' ' SER . 5.6 t -86.52 155.22 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.548 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 10.7 mmt180 -132.05 114.84 15.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 HD11 ' N ' ' A' ' 87' ' ' GLU . 63.3 mt -98.35 151.34 20.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 76.3 m-85 -153.85 120.35 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -126.22 135.95 52.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -132.16 118.6 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.61 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.417 ' O ' HG21 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -138.6 116.34 9.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.469 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.03 -49.69 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.5 t0 -49.66 -17.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 13.5 pt-20 49.16 40.09 16.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 76' ' ' LYS . . . -62.97 127.79 91.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . 18.1 Cg_endo -74.98 -17.41 19.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.5 t -97.26 -16.83 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.7 t -94.37 -48.53 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -63.42 -43.46 97.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.1 -67.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 5.2 t80 -48.09 -56.6 7.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . . . -47.64 -56.22 7.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 84' ' ' GLU . . . -53.31 -33.1 45.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 5.0 tt -59.53 -53.03 62.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 2.7 mm? -52.17 -55.18 22.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -67.7 -12.12 59.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -67.29 -37.0 82.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.529 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -146.28 54.67 0.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 54.2 mt -156.4 -47.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 83' ' ' ARG . 1.3 tm-20 -55.08 115.62 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.24 -22.36 39.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 39.2 mm-40 -59.92 -172.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.502 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 1.4 m -87.43 161.18 46.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' O ' HD22 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -14.99 20.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -96.26 -36.49 10.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.64 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.481 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 2.7 t -68.7 -56.7 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 4.4 mm? -52.76 -33.29 47.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . 3.1 mm-40 -60.67 -13.52 15.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.484 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 63.0 t -81.16 122.45 81.5 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.84 17.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HB3' ' CD1' ' A' ' 124' ' ' LEU . 18.1 Cg_endo -75.04 -10.34 21.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.37 58.96 0.68 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.536 ' CE1' HD13 ' A' ' 6' ' ' LEU . 8.8 p90 -88.18 -1.07 57.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 103' ' ' ARG . 41.4 p90 -112.28 -45.19 3.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.569 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 50.7 mtm180 -41.41 105.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.81 -70.03 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 82.9 m-85 -37.65 -68.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 156.81 58.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -101.04 -24.66 14.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.467 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 13.2 mt-10 -65.08 -49.94 68.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -40.67 -28.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.419 ' N ' ' C ' ' A' ' 108' ' ' GLU . 17.8 m-85 -103.88 -45.95 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -98.96 107.1 19.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.0 p -39.94 159.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.99 18.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.0 -63.06 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -54.03 -33.23 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 108' ' ' GLU . 10.3 mt -49.56 -50.65 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.17 -56.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.94 -48.25 82.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 12.7 mt -41.72 -44.73 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 121' ' ' ALA . 10.3 mt-10 -60.32 -51.94 67.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.491 ' CB ' ' CB ' ' A' ' 46' ' ' GLU . . . -34.71 -38.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 120' ' ' GLU . . . -51.17 -58.85 5.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 120' ' ' GLU . 0.7 OUTLIER -66.06 -55.9 14.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 99' ' ' PRO . 2.7 mm? -40.28 -43.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 128' ' ' ALA . 5.2 mtt-85 -71.7 -51.07 24.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.58 HD21 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -45.32 -51.33 11.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 3.8 mt-30 -59.45 -29.71 67.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.36 -15.33 55.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -92.19 -37.59 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 133' ' ' ALA . 53.2 t -71.57 -49.4 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.478 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 6.3 mtp180 -42.9 -30.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 135' ' ' THR . 8.9 mmmm -67.78 -45.4 74.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.612 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -54.02 -45.61 71.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.9 mp -46.48 -32.74 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 132' ' ' LYS . 8.9 t -102.66 -20.33 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.51 0.195 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.5 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 45.4 t 67.21 141.64 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.94 173.02 15.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.462 1.77 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.05 -55.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -37.66 -45.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' GLN . 25.1 tp -72.82 -66.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' LEU . 5.3 tptt -38.76 -30.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -80.54 -52.73 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -53.74 -38.77 64.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 69.3 mt -73.35 -61.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.9 -48.49 51.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' LEU . 48.2 tp -55.48 -46.65 76.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 14.7 t80 -52.86 -58.98 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -56.22 -21.23 22.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -92.19 -19.81 21.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' LEU . 30.4 mt -73.01 157.98 87.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.01 137.26 21.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 17' ' ' PRO . 17.2 tttt -34.53 -68.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' LYS . 9.5 tt0 -33.95 -49.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' GLN . 9.8 mp -71.98 -47.5 51.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' LYS . 25.5 mtt180 -37.54 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.9 -42.63 10.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.032 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.6 mm-40 -63.13 -49.65 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.1 t -48.94 -60.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 13' ' ' PHE . 64.6 mt -42.23 -44.66 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.0 -61.37 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' ALA . 2.7 mt-10 -44.07 -61.55 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE1' ' HG3' ' A' ' 84' ' ' GLU . 5.8 m-30 -37.31 -51.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -55.72 -46.58 77.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -67.95 -15.63 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -31.59 24.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG2' ' HA2' ' A' ' 80' ' ' GLY . 53.7 t -58.39 110.58 2.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HD3' ' NE ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.02 165.45 31.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.4 42.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.3 28.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.574 1.829 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.458 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.98 159.6 41.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 128.62 11.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.03 -28.68 10.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 18.7 t -67.25 123.73 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -94.8 112.71 24.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.07 142.42 29.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 1.6 tp10 -99.27 144.77 28.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 8.5 ttp-105 -80.34 145.31 32.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 89.8 t -103.59 93.46 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -61.93 -33.73 74.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.6 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' CB ' ' HB1' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -50.9 -39.64 54.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.9 t -88.03 150.24 23.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.49 29.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.422 HG21 ' NH2' ' A' ' 115' ' ' ARG . 47.2 p -136.92 155.66 76.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.604 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.99 60.77 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.611 ' CD1' ' CG1' ' A' ' 75' ' ' VAL . 11.4 t80 -90.81 153.34 20.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' A' ' 50' ' ' PRO . 14.8 m-85 -150.89 134.74 16.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.596 HG23 ' CE1' ' A' ' 66' ' ' PHE . 9.3 p -135.22 154.76 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.44 ' C ' ' CD2' ' A' ' 54' ' ' HIS . 1.9 t-160 -151.59 125.82 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' CB ' HG22 ' A' ' 130' ' ' VAL . . . -115.59 140.65 48.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -148.61 167.33 25.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 59.4 t -113.97 100.5 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -101.45 102.88 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.3 -78.43 2.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.64 25.47 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 14.0 mttt -133.59 176.99 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 89' ' ' GLU . 62.7 t -109.84 114.18 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 22.1 mmt180 -86.02 117.19 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 28.9 mt -97.2 141.44 30.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 63' ' ' ARG . 31.3 m-85 -146.96 120.15 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.596 ' CE1' HG23 ' A' ' 53' ' ' VAL . 85.7 m-85 -119.75 161.15 21.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -146.02 115.96 7.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.501 ' CG2' ' HD2' ' A' ' 76' ' ' LYS . 78.9 t -124.46 99.9 35.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.99 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.96 -14.12 3.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' CA ' HG13 ' A' ' 68' ' ' VAL . 1.8 mt-10 73.16 18.2 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' LYS . . . -50.34 120.1 11.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 76' ' ' LYS . 18.4 Cg_endo -74.99 -50.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.5 p -43.9 -30.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.611 ' CG1' ' CD1' ' A' ' 51' ' ' PHE . 81.5 t -93.59 -32.01 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HD2' ' CG2' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -63.1 -60.56 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -38.75 -63.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 4.5 t80 -46.06 -59.24 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . . . -46.69 -40.27 12.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.464 ' HA2' ' CG2' ' A' ' 32' ' ' VAL . . . -72.77 -25.85 72.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 78' ' ' PHE . 4.5 tp -75.85 -46.97 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.467 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -59.43 -36.27 75.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -81.24 -11.08 59.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.547 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 4.6 mm-40 -95.36 -2.85 48.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.403 ' HA2' ' C ' ' A' ' 5' ' ' LYS . . . -130.68 -33.89 0.46 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.662 ' CD2' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -94.58 -65.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.624 ' C ' ' O ' ' A' ' 86' ' ' LEU . 2.3 tm-20 -16.92 112.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.38 14.27 64.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' LEU . 35.9 mm-40 -98.96 165.28 11.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 110.358 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 p -78.65 161.33 69.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 130' ' ' VAL . 18.3 Cg_endo -75.03 -7.59 19.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -35.21 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.12 -30.72 60.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 86' ' ' LEU . 12.1 t -71.13 -41.63 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 4.4 mm? -66.59 -32.63 74.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.21 -8.34 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.51 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 59.0 t -86.86 120.26 71.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 173.0 15.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.443 ' HB3' ' CD2' ' A' ' 124' ' ' LEU . 18.1 Cg_endo -74.99 0.35 9.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.799 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -140.46 48.78 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 12.4 p90 -69.84 -28.96 66.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 51.7 p90 -77.79 -25.65 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -39.53 124.18 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 75.45 77.45 0.71 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.4 m-85 -172.16 -51.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 161.47 -44.24 0.39 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.691 ' CD1' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -43.77 -47.27 7.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.803 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -51.41 14.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -71.09 -59.34 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -41.47 -65.26 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -78.51 141.1 38.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -61.9 160.46 28.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.71 17.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.08 -55.51 3.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.422 ' NH2' HG21 ' A' ' 49' ' ' THR . 1.5 ttt180 -62.88 -37.19 85.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.8 mt -51.84 -47.0 64.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.9 mtt-85 -46.07 -42.69 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -71.47 -54.58 8.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.589 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -44.3 -40.79 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.83 -43.48 98.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 122' ' ' ALA . . . -54.29 -48.46 71.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 121' ' ' ALA . . . -38.65 -50.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 125' ' ' ARG . 1.1 tm? -65.7 -63.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 99' ' ' PRO . 12.3 mt -40.67 -29.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.437 ' N ' ' C ' ' A' ' 123' ' ' LEU . 3.5 mmp_? -75.48 -60.34 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.541 ' CD2' ' CG2' ' A' ' 53' ' ' VAL . 16.1 mt -46.28 -55.12 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 14.7 mt-30 -45.56 -32.67 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.26 -42.76 59.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 126' ' ' LEU . 53.7 mt-30 -65.66 -56.2 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 91' ' ' PRO . 13.3 t -49.93 -61.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 1.6 mtt-85 -39.43 -30.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 133' ' ' ALA . 1.0 OUTLIER -68.27 -53.14 26.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 132' ' ' LYS . . . -47.52 -41.6 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 18.4 mt -46.46 -44.18 17.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 136' ' ' SER . 9.8 t -114.85 26.89 9.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 135' ' ' THR . 2.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ttm . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.55 0.214 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 5.0 t 71.72 140.97 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.96 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 8' ' ' GLN . 18.3 Cg_endo -75.03 -49.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -50.13 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -67.81 -67.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -40.52 -31.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 4' ' ' PRO . 2.7 mt-30 -67.56 -59.24 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.78 -49.64 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 97.4 mt -63.03 -70.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -41.34 -43.33 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' LEU . 20.5 tp -65.57 -45.3 83.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 21' ' ' ARG . 40.9 t80 -51.46 -57.9 7.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -59.7 -15.11 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -8.51 20.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.992 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' LEU . 28.3 mt -83.4 160.74 58.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' LEU . 18.4 Cg_endo -75.05 139.05 23.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -38.1 -70.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.517 ' HG3' ' CD1' ' A' ' 20' ' ' LEU . 6.8 pt-20 -34.05 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.517 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 9.2 mp -85.05 -56.57 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -37.65 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.39 -44.9 9.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.3 pt20 -65.55 -39.44 91.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.235 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.542 HG11 ' CE1' ' A' ' 28' ' ' TYR . 50.0 t -54.91 -57.85 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD21 ' CD2' ' A' ' 107' ' ' LEU . 77.1 mt -42.21 -36.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -69.06 -54.72 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.7 OUTLIER -48.87 -51.62 28.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.8 m-30 -40.17 -55.66 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -57.96 -36.88 73.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -65.6 -25.59 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.2 32.62 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.0 t -125.85 98.02 34.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.25 40.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.43 42.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.85 41.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.01 39.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.946 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.62 11.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.39 -41.5 2.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.65 123.57 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.733 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.52 128.81 36.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mp -116.1 149.11 39.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.26 138.54 35.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -74.65 134.87 41.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.87 91.43 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -55.77 -49.39 73.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.14 -35.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 23.9 t -89.99 144.2 26.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -65.31 -59.07 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.7 p -65.84 160.7 60.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.94 74.9 3.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -89.19 106.81 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 23.1 m-85 -103.92 134.32 47.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.8 m -139.58 162.29 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -148.95 129.13 13.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HB3' ' CG2' ' A' ' 130' ' ' VAL . . . -118.14 139.53 51.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 63' ' ' ARG . 17.8 m-20 -165.34 167.03 18.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.6 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.8 OUTLIER -135.75 129.2 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -125.3 101.22 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.0 -81.41 0.56 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.32 21.47 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 13.9 mttm -139.43 151.02 45.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 0.724 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.485 HG21 ' CG2' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -98.75 127.78 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 4.1 mmm180 -91.51 126.25 36.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 1.3 mp -99.44 149.05 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 92.5 m-85 -152.59 124.88 8.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -130.22 151.72 50.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -140.31 115.15 9.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.659 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.22 109.16 33.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -69.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.51 -30.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 69.05 56.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.53 129.77 58.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -7.89 19.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -96.82 -25.73 15.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 t -92.83 -38.15 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 4.9 tttt -67.97 -38.67 83.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.81 -57.79 4.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 t80 -55.09 -49.4 71.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.91 -45.67 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.16 -28.84 73.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 78' ' ' PHE . 11.5 tp -68.16 -35.0 77.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.522 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 3.4 mm? -68.53 -52.73 28.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.5 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -72.9 -16.82 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.583 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 2.7 mm-40 -49.77 -54.11 21.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -126.97 51.66 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.522 ' CD1' ' O ' ' A' ' 82' ' ' LEU . 43.2 mt -151.64 -42.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 18.0 tp10 -46.32 110.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.31 34.73 35.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 72.6 mm-40 -108.17 178.49 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 p -77.27 157.15 81.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.063 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.54 21.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.791 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.57 -38.15 11.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.46 -26.1 65.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.485 ' CG2' HG21 ' A' ' 62' ' ' VAL . 2.9 t -78.0 -42.32 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.5 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 3.2 mm? -64.98 -34.95 79.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.91 -27.19 63.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.476 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 40.1 t -64.47 111.97 6.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.444 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.0 170.33 20.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.803 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -1.88 11.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.55 43.62 1.27 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -80.14 -3.87 50.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.565 ' CE2' HD11 ' A' ' 116' ' ' LEU . 35.3 p90 -108.2 -37.13 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.425 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 42.5 mtt180 -49.98 128.11 17.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 105' ' ' TYR . . . 118.17 -71.94 0.3 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 65.5 m-85 -35.36 -85.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 170.65 51.18 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 102' ' ' TYR . 4.2 mt -101.45 -46.04 5.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -55.13 -37.7 67.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.4 -31.03 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 21' ' ' ARG . 26.5 m-85 -96.41 -43.14 7.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.499 ' CB ' ' CD2' ' A' ' 116' ' ' LEU . 49.2 m-85 -104.08 123.19 46.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.4 p -46.68 159.74 0.35 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.38 16.9 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -76.58 -56.54 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -51.12 -41.7 60.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 102' ' ' TYR . 4.1 mm? -56.87 -50.72 71.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -42.73 -27.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -90.9 -41.57 5.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.486 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 15.4 mt -59.0 -48.4 81.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' CD ' ' CE1' ' A' ' 102' ' ' TYR . 32.8 mm-40 -48.64 -37.08 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.95 -37.76 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -51.42 -65.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 13.5 tp -48.59 -56.04 9.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.68 -48.49 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -58.93 -62.96 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 129' ' ' GLN . 1.5 mt -47.19 -48.77 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 15.2 mt-30 -50.37 -27.26 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.81 -31.72 31.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' LEU . 10.0 mt-30 -76.23 -29.77 57.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 133' ' ' ALA . 86.1 t -76.39 -60.8 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 8.6 mtt180 -41.01 -32.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -66.19 -46.9 75.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.6 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -51.77 -42.35 62.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.0 mp -52.24 -40.51 61.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.9 t -91.18 -15.77 28.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 132' ' ' LYS . 4.9 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.509 0.195 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 2.9 t 68.04 141.78 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.93 176.61 9.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 3' ' ' PRO . 18.3 Cg_endo -75.04 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 4.3 mmmt -39.34 -50.62 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -63.37 -69.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -41.28 -29.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' PRO . 2.4 mt-30 -75.18 -63.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.63 -31.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 78.8 mt -80.35 -53.19 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.15 -47.72 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.5 -41.34 76.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.579 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 7.6 t80 -57.59 -63.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -50.98 -27.08 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.24 -38.25 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 mt -69.87 157.57 89.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.5 Cg_endo -74.94 135.11 18.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 17' ' ' PRO . 2.4 tttm -34.09 -68.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.1 pm0 -35.21 -56.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.8 mt -60.83 -53.74 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 8.8 mtt180 -39.54 -58.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.28 -42.43 30.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.3 mm-40 -68.95 -35.1 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.559 HG13 ' CD1' ' A' ' 28' ' ' TYR . 3.1 t -63.15 -65.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.586 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 38.4 mt -39.06 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -68.36 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -52.01 -32.35 33.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD1' HG13 ' A' ' 24' ' ' VAL . 2.5 m-85 -57.8 -33.53 68.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' HB2' ' N ' ' A' ' 77' ' ' ALA . . . -82.97 -38.57 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.73 -17.65 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -86.11 -25.05 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.483 ' CG2' ' HA2' ' A' ' 80' ' ' GLY . 72.4 t -69.34 113.33 15.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.3 27.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.95 41.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.65 24.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.807 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.99 163.31 35.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.31 16.49 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.1 -29.58 10.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.562 HG12 ' CD2' ' A' ' 54' ' ' HIS . 69.2 t -65.5 120.71 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 4.1 tt0 -92.81 112.83 24.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 54' ' ' HIS . 1.2 mp -97.52 140.12 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.8 132.03 37.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 47' ' ' CYS . 2.2 tpt180 -68.06 128.48 36.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.8 t -94.56 88.24 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.426 ' HA ' ' NH2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -56.75 -45.12 82.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.568 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.83 -48.12 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 5.8 t -81.88 113.12 19.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -38.91 -34.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -84.58 152.39 60.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.377 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 75.23 3.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -96.24 107.41 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -98.07 138.37 35.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.23 148.57 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.562 ' CD2' HG12 ' A' ' 39' ' ' VAL . 83.1 t60 -134.85 105.66 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.457 ' CB ' HD23 ' A' ' 126' ' ' LEU . . . -103.25 132.8 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 63' ' ' ARG . 10.5 m-20 -157.17 165.85 34.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.57 HG12 ' CB ' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -134.26 126.1 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.36 102.32 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.21 -78.53 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.66 24.29 0.3 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.7 mttt -141.54 142.71 33.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -92.77 122.9 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -86.37 120.89 28.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.3 mt -91.14 138.62 31.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 64.2 m-85 -146.66 121.53 9.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 83.0 m-85 -125.0 145.68 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -134.25 120.41 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 46.3 t -129.51 111.72 17.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -61.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -50.7 -22.15 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 66.69 44.27 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.16 125.43 90.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.89 17.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.5 p -93.03 -44.92 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.8 t -73.51 -50.97 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -58.62 -43.36 89.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.418 ' N ' ' HB2' ' A' ' 29' ' ' ALA . . . -39.5 -67.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 3.2 t80 -41.6 -55.69 2.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.582 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . . . -43.09 -54.98 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 32' ' ' VAL . . . -53.15 -38.42 56.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' GLU . 5.4 tt -55.77 -61.72 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 1.4 mm? -39.7 -65.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 15.2 ttt180 -51.87 -32.96 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 33.7 mm-40 -74.56 -3.26 29.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 5' ' ' LYS . . . -124.37 -41.97 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.686 ' CD2' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -91.41 -69.67 0.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 0.748 . . . . 0.0 109.269 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.536 ' O ' ' O ' ' A' ' 86' ' ' LEU . 1.1 tt0 45.09 104.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.52 36.91 1.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.502 ' OE2' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -75.96 -169.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.8 p -89.27 157.01 48.28 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.09 20.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.32 -34.14 14.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.502 ' CB ' ' OE2' ' A' ' 89' ' ' GLU . . . -77.73 -32.34 52.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG2' HD12 ' A' ' 86' ' ' LEU . 70.6 t -75.98 -20.52 15.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 29.2 mt -93.44 -26.74 17.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -84.21 8.37 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 93' ' ' ALA . 47.2 t -94.89 120.44 64.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.32 40.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.27 10.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.9 20.64 10.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.567 ' CD2' HD13 ' A' ' 6' ' ' LEU . 25.3 p90 -61.41 -20.46 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -89.64 -2.73 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -77.49 161.58 27.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.544 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 59.42 66.86 2.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 21.9 m-85 -167.52 -94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 174.55 48.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.457 HD13 ' CD2' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -101.62 -54.12 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.47 -40.93 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.73 -40.27 27.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -91.44 -38.23 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.586 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 35.1 m-85 -101.47 104.78 15.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 40.0 p -40.83 161.63 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.417 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.36 20.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.789 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.28 -64.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -52.3 -29.47 23.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' ARG . 5.8 mt -54.79 -50.51 68.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -38.16 -43.5 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -66.51 -58.97 7.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -41.04 -59.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -48.79 -43.48 38.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.68 -39.85 52.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.88 -63.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.405 HD11 ' CG1' ' A' ' 97' ' ' VAL . 11.9 tp -48.96 -50.84 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.8 -54.99 30.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -54.56 17.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 129' ' ' GLN . 1.7 mt -57.15 -47.91 80.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.407 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 7.0 mt-30 -48.29 -30.42 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.53 -29.53 27.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' LEU . 96.1 mt-30 -79.45 -9.16 59.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.1 t -85.5 -62.26 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 7.1 mtt85 -48.51 -38.79 21.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.506 ' C ' ' CD ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -65.31 -42.22 93.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.57 ' CB ' HG12 ' A' ' 57' ' ' VAL . . . -57.08 -30.83 64.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.14 -44.4 84.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 t -98.21 17.04 19.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.491 0.186 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.513 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 47.0 t 66.87 142.03 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.513 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 173.9 13.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.552 1.817 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.01 -55.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 12.2 mttt -38.39 -42.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.536 ' HG ' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -72.63 -68.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -40.08 -29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 6' ' ' LEU . 2.9 mm-40 -79.56 -50.83 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.88 -37.22 76.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 41.8 mt -72.97 -66.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -47.41 -42.29 21.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' CB ' ' O ' ' A' ' 8' ' ' GLN . 55.6 tp -61.39 -52.04 66.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CE2' HD12 ' A' ' 107' ' ' LEU . 38.7 t80 -49.19 -60.63 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -60.42 -30.99 69.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.6 t -73.25 -25.27 60.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LEU . 37.4 mt -75.95 159.2 81.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.01 138.89 23.61 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' PRO . 6.0 tttt -35.0 -69.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -33.48 -56.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLN . 14.4 mt -61.99 -53.44 55.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 11.0 mtt180 -38.57 -49.34 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -51.16 -46.51 62.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -64.99 -44.0 90.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.48 ' CG1' ' CE2' ' A' ' 28' ' ' TYR . 84.1 t -46.59 -60.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.543 HD11 ' CD1' ' A' ' 110' ' ' PHE . 88.8 mt -42.78 -40.68 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.421 HD13 ' CB ' ' A' ' 73' ' ' PRO . 4.2 mm? -73.73 -53.95 9.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.79 -51.09 5.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.48 ' CE2' ' CG1' ' A' ' 24' ' ' VAL . 6.7 m-85 -49.1 -66.27 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.87 -24.98 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.18 -34.06 61.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' TYR . 8.6 mttt -80.48 -33.42 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.497 ' CG2' ' CA ' ' A' ' 80' ' ' GLY . 44.0 t -43.74 103.27 0.31 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.21 41.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 153.48 41.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.23 33.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.797 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.96 155.22 43.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.99 9.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.59 -3.37 36.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 3.2 t -92.77 132.75 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 13.8 tt0 -101.71 118.42 36.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 65' ' ' TYR . 2.3 mp -101.24 151.29 22.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -103.03 118.83 37.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.7 ttt-85 -67.85 140.29 56.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.483 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 59.2 t -91.74 90.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -50.5 -31.63 15.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -26.6 62.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.428 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -97.12 112.1 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.287 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.5 -20.96 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 p -91.17 164.49 24.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 94.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -124.72 113.0 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -113.75 113.01 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.4 m -109.14 165.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 62.1 t60 -158.93 133.86 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.623 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' CB ' HD23 ' A' ' 126' ' ' LEU . . . -129.03 128.19 43.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.442 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 14.2 m-20 -144.86 167.49 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 133' ' ' ALA . 47.6 t -113.64 105.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.39 101.68 13.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.51 -82.08 1.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.93 14.52 1.73 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -129.41 161.39 30.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.507 ' CG1' ' C ' ' A' ' 90' ' ' SER . 0.9 OUTLIER -98.03 126.13 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 10.9 mmt-85 -95.57 138.04 33.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 mt -121.79 144.3 48.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 57.4 m-85 -148.04 124.82 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -124.9 140.1 53.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -123.52 118.96 28.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.608 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.423 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 2.4 t -131.61 114.32 15.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -62.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -23.56 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.39 43.52 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.41 117.92 48.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' CB ' HD13 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.97 -5.55 16.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.8 p -91.46 -34.89 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 t -92.47 -45.17 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HE3' ' CG1' ' A' ' 32' ' ' VAL . 12.7 tttt -62.21 -42.58 99.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -38.82 -68.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 1.8 t80 -45.29 -50.17 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.6 -48.87 19.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' CA ' ' CG2' ' A' ' 32' ' ' VAL . . . -62.7 -30.3 76.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.43 -46.62 59.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.41 ' O ' HD22 ' A' ' 86' ' ' LEU . 3.1 mt -58.57 -36.37 73.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -79.08 -14.84 58.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -95.69 -0.17 51.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.43 ' HA2' ' C ' ' A' ' 5' ' ' LYS . . . -133.34 -37.21 0.25 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.657 ' CD2' ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -96.85 -70.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 83' ' ' ARG . 10.5 tm-20 -30.63 114.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.85 0.39 57.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 86' ' ' LEU . 24.4 mm-40 -96.26 -172.77 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.507 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -92.4 161.05 33.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.488 ' HB2' ' CD2' ' A' ' 134' ' ' LEU . 18.3 Cg_endo -75.01 -12.78 21.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -94.34 -35.27 12.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.06 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.483 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 25.0 t -67.93 -55.84 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.443 ' CD2' HG11 ' A' ' 130' ' ' VAL . 3.5 mm? -50.37 -35.48 28.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.46 -13.42 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.463 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 46.7 t -84.52 114.02 52.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 173.83 13.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 124' ' ' LEU . 18.4 Cg_endo -74.96 0.76 8.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.96 40.53 1.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 4.8 p90 -74.5 -14.31 60.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -92.68 -20.74 20.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -46.77 133.94 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 67.81 76.42 0.41 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.8 m-85 -170.36 -50.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 108' ' ' GLU . . . 161.93 -46.07 0.36 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.577 HD12 ' CE2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -38.9 -31.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -66.17 -54.51 24.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -79.84 -11.4 59.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.543 ' CD1' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -86.96 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -91.15 129.73 37.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 33.1 p -39.21 159.03 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.05 20.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.83 -57.58 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -19.26 25.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.29 -48.57 64.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -39.26 -42.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -63.19 -49.56 70.15 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.7 mp -50.61 -35.94 32.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 0.802 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -65.84 -66.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.489 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -32.51 -49.59 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.31 -57.45 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.49 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 1.2 tm? -61.72 -52.96 62.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.581 ' CD1' ' HB3' ' A' ' 99' ' ' PRO . 10.5 mp -41.64 -58.22 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -53.48 -64.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 55' ' ' ALA . 25.2 mt -41.99 -53.81 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.49 ' HG3' ' CD2' ' A' ' 123' ' ' LEU . 4.9 mt-30 -55.79 -35.11 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.59 -11.46 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -98.35 -32.67 11.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 133' ' ' ALA . 55.4 t -69.27 -45.21 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.66 -33.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -49.31 33.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -50.99 -26.12 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 91' ' ' PRO . 25.8 mt -58.0 -27.85 63.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.0 t -89.69 -3.15 58.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.527 0.203 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 55.0 t -50.83 141.67 17.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.97 173.66 14.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.407 ' C ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.95 -58.3 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -31.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -85.48 -67.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -43.84 -28.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 6' ' ' LEU . 5.0 mm100 -66.48 -52.66 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.76 -52.27 65.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 81.5 mt -57.09 -56.31 23.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.04 -54.29 44.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.11 -48.64 61.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 14.4 t80 -50.24 -62.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -56.45 -25.3 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -77.82 -34.98 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.2 mt -73.62 159.18 85.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.469 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -74.96 136.63 20.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -34.77 -69.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.8 pm0 -34.9 -57.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLN . 15.5 mt -59.5 -55.07 39.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' LEU . 10.6 mtt180 -37.59 -56.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -43.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.7 mm-40 -69.14 -44.48 72.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.55 HG12 ' CE1' ' A' ' 28' ' ' TYR . 79.5 t -48.05 -64.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.517 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 74.5 mt -40.31 -42.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.0 -55.67 15.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.81 -50.97 13.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.55 ' CE1' HG12 ' A' ' 24' ' ' VAL . 3.5 m-30 -45.23 -55.2 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -58.82 -29.8 67.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -27.4 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.61 31.69 1.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.422 ' CG2' ' HD2' ' A' ' 83' ' ' ARG . 54.7 t -121.41 102.03 43.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 161.41 38.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.86 43.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.05 42.94 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.09 43.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.01 6.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.84 -31.85 4.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.24 126.92 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -95.12 118.64 32.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mp -104.28 151.21 23.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -103.42 126.39 50.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 17.8 ttp180 -63.13 144.86 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 89.5 t -97.22 91.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -55.26 -42.87 74.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.58 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -49.68 -24.47 2.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 t -102.22 129.7 48.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -53.73 -40.35 66.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.8 p -81.93 153.9 69.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.97 76.07 3.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.69 100.88 13.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 6.4 m-85 -90.45 138.76 31.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.6 m -140.62 160.98 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.434 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 75.9 t60 -151.56 121.53 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.8 136.56 52.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' ARG . 16.4 m-20 -165.09 168.99 16.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.598 HG11 ' CB ' ' A' ' 133' ' ' ALA . 0.7 OUTLIER -136.42 126.69 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -121.16 101.86 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.1 -82.11 0.72 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.05 19.89 0.65 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 2.3 mtmp? -136.96 149.76 47.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.496 HG23 ' CD1' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -95.58 129.84 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -96.48 125.36 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.594 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -108.57 141.24 40.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 93.7 m-85 -141.66 119.65 12.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -118.47 136.59 53.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -127.97 116.72 20.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.9 t -125.32 113.1 25.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -62.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -54.66 -21.52 10.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 66.26 39.82 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.54 132.97 95.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 18.5 Cg_endo -75.0 -9.47 20.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.6 p -96.29 -40.27 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.3 t -73.33 -36.79 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 1.8 tttp -78.27 -46.05 21.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 73' ' ' PRO . . . -40.09 -64.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 3.2 t80 -46.29 -57.4 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' PHE . . . -39.47 -57.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 83' ' ' ARG . . . -52.5 -35.05 43.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 84' ' ' GLU . 3.3 tt -63.65 -41.37 98.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 2.9 mm? -61.85 -63.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.502 ' HB2' ' CB ' ' A' ' 87' ' ' GLU . 6.3 ptp180 -54.67 -38.48 66.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 8.4 mm-40 -37.22 -55.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.542 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . -125.14 47.39 1.02 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 30.7 mt -155.92 -42.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.522 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -62.12 112.17 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.9 -8.59 63.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.677 ' OE1' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -73.71 -166.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.264 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.677 ' O ' ' OE1' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -92.31 164.82 21.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.011 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.37 21.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.31 -54.7 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.609 ' CB ' ' OE1' ' A' ' 89' ' ' GLU . . . -53.54 -26.0 19.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.632 HG21 ' CG ' ' A' ' 89' ' ' GLU . 2.3 t -72.36 -56.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.46 HD23 ' CG1' ' A' ' 130' ' ' VAL . 4.4 mm? -57.56 -33.89 68.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -58.51 -13.83 6.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.519 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 45.2 t -83.02 116.55 64.79 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 174.29 13.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.553 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 18.3 Cg_endo -75.01 -22.44 14.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.05 36.41 4.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.455 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 31.4 p90 -70.97 -7.56 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.553 ' CE2' ' O ' ' A' ' 99' ' ' PRO . 5.3 p90 -99.3 -16.35 18.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -53.38 149.92 7.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.559 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 57.35 75.01 0.28 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 7.8 m-85 -172.64 -46.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.1 -34.59 1.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -58.74 -16.58 17.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.92 -39.68 95.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -94.7 -46.66 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.494 ' CE2' HD13 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -43.06 -57.48 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' A' ' 107' ' ' LEU . 95.9 m-85 -88.05 14.98 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 111' ' ' PHE . 1.5 p 53.91 168.39 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.509 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -74.96 -37.15 2.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.797 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -69.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -39.06 -44.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.469 HD22 ' CE1' ' A' ' 102' ' ' TYR . 9.6 mt -43.4 -57.98 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.509 ' CD ' ' O ' ' A' ' 113' ' ' PRO . 1.7 mpt_? -38.79 -57.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -55.92 -36.86 68.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.578 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 10.6 mt -66.48 -53.35 36.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 121' ' ' ALA . 3.2 mt-10 -42.82 -62.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -30.97 -45.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.42 -65.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.484 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 1.3 tm? -57.07 -50.96 71.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.55 ' CD1' ' HB3' ' A' ' 99' ' ' PRO . 11.2 mp -43.36 -58.73 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 128' ' ' ALA . 13.7 mtt-85 -52.88 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' ARG . 4.6 mt -39.63 -58.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 10.2 mt-30 -51.37 -39.85 57.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -71.7 -23.03 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -83.92 -45.0 13.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 133' ' ' ALA . 93.0 t -58.2 -50.59 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -42.42 -35.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 136' ' ' SER . 14.1 mmmt -63.21 -45.37 91.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.598 ' CB ' HG11 ' A' ' 57' ' ' VAL . . . -53.82 -47.05 71.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.409 ' H ' ' CD1' ' A' ' 134' ' ' LEU . 6.8 mp -49.59 -39.74 36.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.4 t -120.38 40.18 3.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' LYS . 29.5 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.038 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.521 0.2 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 22.3 t -143.07 141.4 19.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.0 175.61 11.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.809 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.04 -55.9 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -38.9 -43.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -72.88 -69.91 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -39.26 -30.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' ' C ' ' A' ' 6' ' ' LEU . 1.3 mm-40 -73.86 -57.73 3.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -26.71 60.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 59.4 mt -82.29 -57.65 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.89 -45.24 67.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' LEU . 54.6 tp -58.62 -41.46 85.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CZ ' HD23 ' A' ' 25' ' ' LEU . 30.2 t80 -61.84 -64.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -54.81 -26.16 33.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.9 t -80.43 -37.29 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 20.8 mt -67.18 157.46 85.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.0 140.19 25.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -35.67 -69.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -32.94 -56.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' GLN . 13.9 mt -61.54 -53.82 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' NE ' ' O ' ' A' ' 16' ' ' LEU . 9.9 mtt180 -38.54 -48.31 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -46.78 -46.34 20.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.055 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 20' ' ' LEU . 2.7 mm100 -66.21 -49.67 66.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.097 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' LEU . 16.9 t -40.66 -65.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.584 HD23 ' CZ ' ' A' ' 13' ' ' PHE . 61.8 mt -39.49 -51.83 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.86 -57.5 12.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.5 mt-10 -38.33 -60.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.449 ' CE1' ' HG3' ' A' ' 84' ' ' GLU . 12.8 m-30 -48.76 -47.37 41.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.54 -16.9 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -93.49 -23.32 18.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -97.17 41.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.436 ' CG2' ' CA ' ' A' ' 80' ' ' GLY . 57.4 t -125.86 90.76 49.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 156.31 43.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.21 42.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 169.28 22.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.96 160.36 40.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.68 3.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.01 -58.4 0.71 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 36' ' ' PRO . 11.5 p -42.08 137.65 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -96.29 136.25 37.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -118.73 139.67 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.11 128.45 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -70.87 124.8 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -74.96 90.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' CYS . 17.2 m-70 -64.86 -43.31 93.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.643 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 7.5 mm-40 -38.29 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -105.64 156.5 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -95.43 47.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -148.59 152.87 38.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 59.67 5.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -102.48 108.94 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -102.07 158.33 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 ' HB ' ' CD2' ' A' ' 126' ' ' LEU . 20.6 m -154.46 156.1 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -145.76 114.14 6.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.664 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' HB3' ' CG2' ' A' ' 130' ' ' VAL . . . -100.84 136.71 40.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 63' ' ' ARG . 11.6 m-20 -164.63 168.64 17.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.635 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.6 OUTLIER -135.41 126.05 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.81 101.41 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.4 -83.31 0.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.85 18.36 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 24.1 mtmt -138.08 154.12 49.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.8 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 57' ' ' VAL . 1.1 m -94.86 125.25 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.551 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 30.3 mmt180 -88.51 102.67 15.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -81.64 126.68 32.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 75.2 m-85 -128.28 118.82 23.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 66.9 m-85 -119.36 133.46 55.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -133.43 112.17 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.609 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.526 HG22 ' CG2' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -136.66 117.5 11.11 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.1 Cg_endo -75.04 -64.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' PRO . 35.1 t70 -39.24 -29.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' PRO . 3.3 mt-10 68.37 18.9 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.505 ' CB ' HG23 ' A' ' 75' ' ' VAL . . . -40.05 127.71 1.63 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.1 Cg_endo -75.04 -8.36 19.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.4 p -97.68 -32.49 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.526 ' CG2' HG22 ' A' ' 68' ' ' VAL . 8.4 m -82.22 -47.31 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HD2' ' CG1' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -59.91 -46.75 88.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.19 -66.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -43.53 -47.24 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . . . -60.88 -55.82 28.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' CA ' ' CG2' ' A' ' 32' ' ' VAL . . . -54.66 -18.5 10.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.1 -57.79 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 8.9 mt -54.31 -31.36 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 27.4 ttt85 -82.28 -13.1 57.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 4.6 mm-40 -97.59 -1.97 42.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.407 ' HA2' ' C ' ' A' ' 5' ' ' LYS . . . -127.72 -37.51 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.68 ' O ' ' C ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -93.42 -69.78 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.68 ' C ' ' O ' ' A' ' 86' ' ' LEU . 6.9 tp10 -7.04 111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.68 1.89 87.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 86' ' ' LEU . 12.9 mm-40 -81.57 169.22 17.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.439 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.2 m -75.87 163.17 68.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.051 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 90' ' ' SER . 18.2 Cg_endo -75.03 -13.15 21.43 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.57 -49.81 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.29 -22.16 60.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.474 ' CG2' HD11 ' A' ' 86' ' ' LEU . 2.5 t -77.48 -44.68 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.497 ' CD1' ' HG3' ' A' ' 131' ' ' ARG . 4.0 mm? -66.72 -38.16 86.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 1' ' ' MET . 3.1 mm-40 -57.26 -20.64 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.9 117.87 46.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.01 167.91 26.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.96 53.84 0.63 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 7.1 p90 -78.88 4.25 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -112.43 -1.44 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -52.72 -56.04 18.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.586 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . -76.73 53.82 3.31 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 98.2 m-85 -164.44 -163.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -125.42 58.9 0.66 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 10' ' ' LEU . 4.5 mt -99.2 -32.97 10.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -64.4 -36.76 85.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -48.71 -23.94 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.427 ' CD2' HD13 ' A' ' 25' ' ' LEU . 83.8 m-85 -105.66 -48.47 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -91.54 117.44 29.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.8 p -53.39 163.38 0.99 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.28 16.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -50.84 10.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 118' ' ' GLY . 0.2 OUTLIER -63.84 -42.04 97.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.95 -50.58 14.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -50.9 -32.22 19.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -85.9 -18.68 59.23 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 mt -85.82 -55.03 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 0.804 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -41.35 -41.84 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 46' ' ' GLU . . . -41.59 -50.14 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 121' ' ' ALA . . . -36.47 -48.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 31.9 tp -66.67 -68.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -40.85 -51.4 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -56.35 -65.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.243 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' A' ' 53' ' ' VAL . 16.7 mt -45.44 -55.87 5.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.413 ' HB3' ' CD1' ' A' ' 95' ' ' LEU . 93.5 mt-30 -48.84 -34.67 12.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.54 -33.49 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 126' ' ' LEU . 28.7 mt-30 -77.42 -45.25 26.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 133' ' ' ALA . 60.7 t -55.56 -50.81 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.497 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 4.1 mtt180 -44.93 -34.06 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.425 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 10.5 mmmm -63.01 -41.48 99.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.635 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -57.94 -35.67 71.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.3 mt -55.16 -42.97 73.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 66.9 p -104.39 17.4 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.437 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.039 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.536 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.511 0.196 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.53 ' CG2' ' HD2' ' A' ' 7' ' ' LYS . 5.0 m -132.47 163.27 51.78 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HD2' ' HB ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.0 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.02 -56.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 6.6 mmmt -35.98 -35.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.586 HD13 ' CD2' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -85.81 -65.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 0.3 OUTLIER -40.53 -31.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.36 -59.19 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.45 -34.55 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.73 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -50.77 -50.0 56.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -51.85 -69.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 33.4 t80 -37.54 -59.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -52.92 -41.14 64.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . 14.9 t -68.75 -34.86 76.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 20.8 mt -65.06 154.2 87.3 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.04 138.0 22.35 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -34.79 -69.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -34.39 -55.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' GLN . 14.8 mt -63.05 -51.43 66.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 9.1 mtt180 -41.4 -55.34 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -41.7 -33.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' LEU . 4.0 mt-30 -74.81 -47.99 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.9 t -47.79 -62.98 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.519 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 37.6 mt -43.16 -43.19 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.4 mt -65.82 -46.77 77.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 30' ' ' ALA . 3.2 mt-10 -54.43 -56.87 14.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -42.71 -53.22 4.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.52 -32.25 71.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -72.01 -29.6 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 0.3 OUTLIER -95.63 45.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.5 t -136.03 96.14 13.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.67 39.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.14 43.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 160.86 39.52 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.556 1.819 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.05 164.42 33.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.35 9.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.75 55.88 0.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 36' ' ' PRO . 11.4 p -161.82 143.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -112.34 127.3 55.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.15 155.3 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -116.31 118.78 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -54.93 141.43 33.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.7 t -99.11 93.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.36 -35.95 78.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.06 -23.77 14.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -102.96 156.62 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -65.49 -77.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.3 p -58.67 160.88 9.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.04 80.24 2.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.779 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -88.75 103.89 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 11.7 m-85 -90.76 129.11 36.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.58 157.65 39.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.451 ' CD2' ' CG2' ' A' ' 39' ' ' VAL . 80.7 t60 -158.25 134.13 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.603 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.66 134.03 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 5.4 m-20 -139.37 173.64 11.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 93.2 t -132.26 122.15 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.03 112.21 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.97 16.34 58.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.75 -4.55 84.99 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -104.73 173.82 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 56' ' ' ASP . 1.1 m -109.41 127.31 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.593 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -87.8 121.12 29.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 2.2 mp -97.71 141.52 30.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 66.2 m-85 -146.42 119.05 8.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -128.94 139.23 52.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -138.15 113.16 9.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 2.4 t -120.94 119.83 29.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -57.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -16.35 60.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 67.1 26.02 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.37 116.39 1.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.5 21.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 p -94.77 -24.71 16.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.9 t -94.03 -45.3 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 2.2 tttt -63.46 -40.41 97.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.13 -65.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 3.5 t80 -45.26 -45.0 11.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.2 86.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.37 -25.57 62.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.43 -49.92 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 5.9 mt -57.85 -31.68 66.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 13.7 ttt85 -84.0 -11.83 56.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -97.37 -0.9 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA2' ' C ' ' A' ' 5' ' ' LYS . . . -130.5 -39.0 0.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.686 ' O ' ' C ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -93.18 -69.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.262 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 86' ' ' LEU . 1.3 tt0 -1.22 105.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.14 8.42 81.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 86' ' ' LEU . 23.4 mm-40 -89.71 166.68 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.509 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 97.3 p -79.37 158.76 73.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.515 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 18.1 Cg_endo -75.06 -8.04 19.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.37 -32.22 17.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.465 ' HA ' ' HG2' ' A' ' 96' ' ' GLU . . . -85.26 -16.75 39.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.515 ' CG2' ' HA ' ' A' ' 91' ' ' PRO . 9.0 m -87.54 -47.83 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' A' ' 94' ' ' VAL . 1.9 mt -57.4 -42.15 81.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.536 ' CG ' ' O ' ' A' ' 1' ' ' MET . 12.8 pt-20 -56.99 -38.82 73.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.518 ' CG1' HG12 ' A' ' 2' ' ' VAL . 49.2 t -57.02 116.19 12.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.416 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.01 172.17 16.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -13.9 21.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.5 36.82 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.586 ' CD2' HD13 ' A' ' 6' ' ' LEU . 29.7 p90 -74.42 -10.59 59.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.464 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 37.5 p90 -94.51 -14.83 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -50.69 137.26 20.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 61.3 78.2 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 4.6 m-85 -171.16 -47.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.98 -40.28 0.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.547 ' CD1' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -48.2 -53.98 15.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.415 ' HA ' ' CD1' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -48.04 -29.6 3.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.55 -60.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.5 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -45.5 -64.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -80.2 139.79 36.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 27.6 p -62.86 160.85 33.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -10.39 21.15 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.94 -53.5 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -67.83 -27.12 66.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.446 HD21 ' CZ ' ' A' ' 102' ' ' TYR . 4.4 mt -61.14 -48.09 83.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -39.27 -46.46 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' LEU . . . -69.29 -56.69 8.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.577 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.4 mp -39.91 -35.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.25 -53.45 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -42.52 -44.29 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.01 -65.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.416 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 42.3 tp -49.0 -57.53 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.3 mt -45.57 -61.83 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.3 OUTLIER -51.1 -59.36 4.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.1 mt -47.14 -47.14 23.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 63.5 mt-30 -64.17 -26.06 68.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -77.16 -18.93 57.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -89.87 -25.68 20.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 133' ' ' ALA . 60.0 t -76.92 -46.83 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -47.91 -26.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -77.6 -38.2 48.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -65.82 -36.12 82.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.96 -41.93 68.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 12.8 t -85.44 11.56 10.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 17.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.02 174.55 12.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -75.04 -53.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' PRO . 2.7 mmmt -38.3 -38.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.595 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -84.71 -61.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -41.14 -33.75 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -49.56 60.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.683 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -58.44 -49.25 77.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.872 HD13 ' CE2' ' A' ' 105' ' ' TYR . 71.6 mt -62.28 -60.28 3.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -47.58 -46.6 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LEU . 43.7 tp -62.58 -36.58 83.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.41 -60.74 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -56.62 -18.16 11.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -91.14 -38.35 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.537 HD13 HG21 ' A' ' 24' ' ' VAL . 19.7 mt -66.3 156.08 86.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.492 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.3 Cg_endo -75.0 134.05 17.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 17' ' ' PRO . 38.7 tttt -34.78 -68.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.1 pt-20 -35.41 -48.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' A' ' 17' ' ' PRO . 13.6 mt -69.63 -48.99 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 18' ' ' LYS . 9.6 mtt85 -39.99 -39.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 t -63.44 -52.07 63.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.63 -27.81 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.537 HG21 HD13 ' A' ' 16' ' ' LEU . 51.8 t -68.99 -54.32 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.548 HD12 ' CD1' ' A' ' 110' ' ' PHE . 13.9 mt -51.78 -33.71 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.71 -61.14 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.3 mt-10 -41.73 -51.93 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -42.25 -57.73 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -52.85 -38.2 61.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -64.49 -23.91 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' CZ ' ' A' ' 83' ' ' ARG . 0.8 OUTLIER -100.03 41.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' HD3' ' A' ' 83' ' ' ARG . 55.5 t -125.89 97.06 36.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.51 42.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.12 42.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 165.05 32.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.764 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.96 159.53 41.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.39 4.57 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.99 -57.07 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.764 HG11 ' HD2' ' A' ' 36' ' ' PRO . 7.3 p -39.9 142.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -108.33 127.31 53.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.1 143.83 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -101.02 130.11 46.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.41 146.48 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.481 HG12 ' H ' ' A' ' 47' ' ' CYS . 89.1 t -103.57 91.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -48.43 71.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.662 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.11 -41.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.481 ' H ' HG12 ' A' ' 44' ' ' VAL . 33.2 t -87.11 144.92 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -60.57 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -62.35 155.49 66.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.01 74.46 4.0 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 7.4 t80 -87.93 119.1 27.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 10.6 m-85 -108.67 132.88 53.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.74 ' HB ' HD21 ' A' ' 126' ' ' LEU . 21.6 m -133.64 161.69 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 80.9 t60 -159.4 112.95 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 126' ' ' LEU . . . -102.12 140.02 36.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' ARG . 30.1 m-20 -165.04 170.45 15.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.989 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -135.34 124.43 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.34 114.5 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.58 -79.73 1.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.04 26.22 0.36 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 13.9 mttp -141.87 155.69 45.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 89' ' ' GLU . 22.4 t -84.02 153.48 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 3.0 mmt-85 -130.77 102.13 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 8.4 mt -86.08 142.07 28.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 75.0 m-85 -143.56 120.01 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.605 ' HD1' HG12 ' A' ' 53' ' ' VAL . 96.0 m-85 -123.57 153.35 40.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -142.11 112.38 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.627 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.413 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.9 t -111.94 117.41 48.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.416 ' CG ' ' HG2' ' A' ' 50' ' ' PRO . 18.1 Cg_endo -75.04 -52.8 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -77.91 0.7 23.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 5.0 pt-20 46.83 38.06 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.947 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -52.99 139.33 43.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.628 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -74.99 -36.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.811 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.5 p -78.28 -27.2 47.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.947 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 37.2 t -80.33 -47.21 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.542 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 8.8 tttt -68.51 -43.7 76.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -40.07 -67.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.706 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 43.4 t80 -53.72 -58.31 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -40.72 -36.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -76.08 -47.35 11.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.041 HD22 ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.19 -32.45 64.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 81' ' ' LEU . 56.0 mt -63.66 -53.44 51.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -71.7 -30.46 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.683 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -53.26 -33.62 53.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.495 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -127.51 40.52 1.74 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.77 HD22 HG22 ' A' ' 94' ' ' VAL . 76.7 mt -154.48 -44.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.91 108.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.245 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.66 -20.17 39.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.93 ' O ' HG23 ' A' ' 62' ' ' VAL . 73.1 mm-40 -62.65 -179.03 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.517 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 1.5 m -89.29 160.71 41.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.45 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.0 -11.53 21.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.73 -35.68 12.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.712 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -74.1 -36.17 64.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.77 HG22 HD22 ' A' ' 86' ' ' LEU . 15.6 t -69.16 -22.42 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.745 HD21 ' O ' ' A' ' 127' ' ' GLN . 8.5 mt -88.58 -34.69 17.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.05 -10.78 32.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 93' ' ' ALA . 48.5 t -75.57 127.75 85.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.79 32.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.463 1.77 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.45 11.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.99 57.08 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.595 ' CE1' HD11 ' A' ' 6' ' ' LEU . 28.5 p90 -87.7 3.45 47.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.768 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 2.5 p90 -109.23 9.24 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -85.53 -37.25 19.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . -81.18 49.98 4.1 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.872 ' CE2' HD13 ' A' ' 10' ' ' LEU . 65.5 m-85 -165.12 -109.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -168.15 45.18 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.524 HD21 HD21 ' A' ' 25' ' ' LEU . 1.9 mt -101.33 -45.25 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 1.019 ' HA ' HD11 ' A' ' 116' ' ' LEU . 2.1 tt0 -50.81 -43.36 58.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -3.84 20.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.548 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -102.41 -42.48 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.511 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 37.4 m-85 -104.36 16.62 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.443 ' O ' ' O ' ' A' ' 111' ' ' PHE . 4.7 p 54.28 164.87 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.419 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.13 20.79 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -86.19 -68.01 0.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.5 ttm180 -42.43 -31.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 1.019 HD11 ' HA ' ' A' ' 108' ' ' GLU . 25.8 mt -62.09 -47.58 83.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 116' ' ' LEU . 25.9 mtt180 -35.54 -49.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -71.57 -55.03 7.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.71 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -48.95 -42.54 37.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.455 ' CG ' ' OH ' ' A' ' 102' ' ' TYR . 22.5 mt-10 -57.63 -60.04 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -38.73 -33.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -54.62 -57.1 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 120' ' ' GLU . 16.3 tp -60.05 -61.99 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.7 mt -41.03 -53.03 3.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.481 ' CD ' HG22 ' A' ' 44' ' ' VAL . 30.3 mtt85 -55.36 -64.52 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.74 HD21 ' HB ' ' A' ' 53' ' ' VAL . 5.7 mt -45.15 -51.98 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.745 ' O ' HD21 ' A' ' 95' ' ' LEU . 7.4 mt-30 -51.54 -30.31 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -80.03 -24.17 40.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.497 ' HA ' ' CD ' ' A' ' 132' ' ' LYS . 7.5 mt-30 -85.29 -18.27 34.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 126' ' ' LEU . 26.5 t -77.89 -51.2 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 130' ' ' VAL . 13.2 mtp85 -35.39 -38.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' A' ' 129' ' ' GLN . 0.1 OUTLIER -65.49 -53.99 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.231 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.989 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -43.8 -47.66 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.236 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.444 ' CD1' HG12 ' A' ' 130' ' ' VAL . 8.3 mp -44.58 -45.03 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 135' ' ' THR . 9.9 t -125.0 43.19 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 132' ' ' LYS . 44.3 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.622 ' CG1' HD12 ' A' ' 6' ' ' LEU . 21.9 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 174.48 12.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.441 1.758 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.94 -58.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -38.06 -31.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.622 HD12 ' CG1' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -86.26 -68.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -41.5 -31.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -65.77 -50.98 62.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.2 -51.23 70.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 92.9 mt -59.13 -54.61 45.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -53.24 -44.13 67.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' LEU . 33.4 tp -67.56 -36.81 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 21' ' ' ARG . 13.7 t80 -56.45 -63.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.2 ttpt -57.19 -23.32 46.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -84.88 -24.0 28.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.61 HD13 HG21 ' A' ' 24' ' ' VAL . 19.7 mt -75.39 161.75 75.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.586 ' HG2' HD13 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -75.0 140.18 25.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.464 1.77 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' GLU . 5.9 tttm -36.29 -68.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.79 ' HG3' HD12 ' A' ' 20' ' ' LEU . 1.6 tp10 -33.37 -48.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.79 HD12 ' HG3' ' A' ' 19' ' ' GLU . 9.6 mp -72.42 -48.83 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.485 ' HB3' ' CE2' ' A' ' 110' ' ' PHE . 37.7 mtt180 -38.19 -31.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -90.55 -41.96 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -62.67 -51.83 65.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.61 HG21 HD13 ' A' ' 16' ' ' LEU . 18.7 t -44.85 -53.07 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.62 HD13 ' CE2' ' A' ' 111' ' ' PHE . 48.0 mt -48.43 -45.45 36.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 26' ' ' LEU . 7.7 mt -59.78 -58.85 6.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.4 mt-10 -47.16 -54.69 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 2.9 m-30 -40.65 -47.1 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -60.63 -42.78 97.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -61.05 -19.94 61.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.498 ' O ' ' CZ ' ' A' ' 83' ' ' ARG . 1.5 mptp? -100.47 38.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 28' ' ' TYR . 79.3 t -122.2 94.04 48.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.7 42.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -74.97 155.75 43.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.1 Cg_endo -75.03 168.09 25.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.813 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.842 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.97 158.36 42.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 112.42 3.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.24 -57.78 0.72 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.842 HG11 ' HD2' ' A' ' 36' ' ' PRO . 14.3 p -39.98 141.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -101.98 141.88 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.51 145.32 50.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -100.01 123.06 43.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -60.16 138.57 57.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 51' ' ' PHE . 96.0 t -88.09 91.02 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -55.82 -47.28 77.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -45.93 -24.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' GLN . 1.8 t -118.86 100.15 7.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' CYS . 11.2 mt-30 -37.33 -42.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 33.0 p -52.58 146.78 16.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' THR . 18.3 Cg_endo -74.96 65.43 6.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.4 t80 -105.52 103.08 12.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -100.61 150.28 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.717 HG12 ' CD1' ' A' ' 66' ' ' PHE . 30.3 m -143.21 159.24 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.426 ' CD2' ' CG2' ' A' ' 39' ' ' VAL . 86.3 t60 -149.39 129.88 13.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.809 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -117.9 136.08 53.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 74.9 m-20 -144.59 174.66 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.8 t -130.36 115.07 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.98 125.06 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.07 34.98 89.91 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.15 3.0 55.43 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -114.43 154.79 27.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.751 HG23 HD12 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -96.18 127.36 48.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.536 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 2.5 mmm-85 -93.58 108.71 20.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.81 HD13 ' HA ' ' A' ' 87' ' ' GLU . 6.8 mp -82.24 133.49 35.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 49.3 m-85 -138.04 119.05 14.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.717 ' CD1' HG12 ' A' ' 53' ' ' VAL . 60.1 m-85 -117.93 149.98 40.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -145.87 114.38 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -138.89 112.57 8.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.96 -63.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.8 OUTLIER -39.29 -28.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' PRO . 18.4 mt-10 67.64 32.42 5.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 1.021 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -51.3 134.63 32.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.04 -10.73 21.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.567 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -97.81 -54.44 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 1.021 HG22 ' HB3' ' A' ' 72' ' ' ALA . 5.0 m -54.2 -49.98 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.781 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.5 tttt -60.99 -45.15 95.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 74' ' ' THR . . . -36.66 -68.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.778 ' CD1' HD23 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -45.52 -54.24 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -40.34 -50.66 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 84' ' ' GLU . . . -62.2 -34.63 89.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.778 HD23 ' CD1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -66.35 -42.0 88.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 3.2 mm? -66.44 -57.48 7.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 31' ' ' LYS . 1.1 ptm180 -64.39 -12.11 39.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.515 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 3.8 mm-40 -71.28 -34.75 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.681 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -141.86 46.8 0.87 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 85' ' ' GLY . 49.1 mt -155.81 -44.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.81 ' HA ' HD13 ' A' ' 64' ' ' LEU . 7.3 tm-20 -51.08 111.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.18 -14.01 66.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.697 ' O ' HG13 ' A' ' 62' ' ' VAL . 6.3 mm-40 -65.91 -176.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.757 ' O ' HG23 ' A' ' 94' ' ' VAL . 1.2 m -92.82 163.15 26.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.827 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.96 -35.19 3.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 2.6 mm-40 -70.68 -35.52 72.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.14 -30.61 49.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 90' ' ' SER . 21.5 t -72.95 -46.47 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.6 mm? -61.09 -37.09 81.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 3.8 mm-40 -57.46 -16.76 10.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.463 HG21 HD21 ' A' ' 86' ' ' LEU . 46.3 t -77.51 113.82 35.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.89 21.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.01 10.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.81 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.489 ' HA2' ' CE2' ' A' ' 102' ' ' TYR . . . -137.01 48.42 0.91 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 10' ' ' LEU . 7.0 p90 -78.24 1.77 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.489 ' CE2' ' HA2' ' A' ' 100' ' ' GLY . 50.8 p90 -105.92 -36.11 7.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 102' ' ' TYR . 17.5 mtt-85 -36.9 119.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 116.9 -69.21 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 46.9 m-85 -38.07 -85.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 0.767 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 158.71 58.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.54 HD11 ' CD2' ' A' ' 10' ' ' LEU . 1.9 mt -100.7 -39.09 8.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.474 ' HA ' HD11 ' A' ' 116' ' ' LEU . 15.4 mt-10 -58.53 -48.21 81.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -40.8 -28.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 21' ' ' ARG . 87.4 m-85 -104.29 -50.66 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.62 ' CE2' HD13 ' A' ' 25' ' ' LEU . 42.9 m-85 -76.93 107.27 9.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 111' ' ' PHE . 59.7 p -38.87 158.59 0.1 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -8.07 19.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 114' ' ' LEU . 2.4 mm? -88.43 -66.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.407 ' NH1' HG21 ' A' ' 74' ' ' THR . 69.7 mtt180 -48.62 -42.91 35.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 108' ' ' GLU . 14.9 mt -40.89 -60.19 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -41.06 -54.47 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.689 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -63.76 -56.53 18.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -39.83 -64.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -43.13 -44.25 4.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 118' ' ' GLY . . . -48.07 -38.84 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -49.4 -57.49 6.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.89 -53.38 58.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.6 -38.84 56.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 11.9 mtp85 -66.5 -61.52 1.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.543 HD21 ' HB ' ' A' ' 53' ' ' VAL . 3.3 mt -49.8 -51.19 41.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 19.6 mt-30 -52.52 -27.7 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.163 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -83.22 -26.96 30.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.689 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 80.4 mt-30 -82.2 -29.58 31.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.809 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 99.8 t -79.17 -55.63 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.808 ' HG3' HD11 ' A' ' 95' ' ' LEU . 7.3 mtt180 -42.79 -35.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.757 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -62.66 -44.82 95.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -54.38 -48.41 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 131' ' ' ARG . 7.9 mp -45.18 -51.98 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 132' ' ' LYS . 15.2 t -74.92 -25.39 58.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 16.1 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.02 172.11 17.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.93 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' PRO . 1.1 mmmt -37.63 -32.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -87.64 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -43.63 -30.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -53.36 47.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.71 -57.06 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.568 HD11 ' HD1' ' A' ' 101' ' ' PHE . 48.6 mt -46.77 -56.9 5.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.23 -55.61 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.912 HD23 ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -48.82 -61.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.912 ' N ' HD23 ' A' ' 12' ' ' LEU . 21.2 t80 -42.76 -62.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 105' ' ' TYR . 5.3 tttp -56.19 -23.05 32.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.3 t -86.79 -7.21 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.948 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.655 HD11 HD21 ' A' ' 12' ' ' LEU . 60.7 mt -92.58 160.28 34.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.645 ' HG2' HD12 ' A' ' 20' ' ' LEU . 18.1 Cg_endo -75.08 127.91 11.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 17' ' ' PRO . 31.8 tttt -31.45 -67.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 12.8 pt-20 -35.95 -49.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.645 HD12 ' HG2' ' A' ' 17' ' ' PRO . 17.6 mt -68.55 -50.16 54.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.598 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 32.7 mtm-85 -48.12 -28.21 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.846 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -68.83 -33.47 73.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.8 pt20 -89.26 -36.31 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.487 HG21 HD13 ' A' ' 16' ' ' LEU . 55.1 t -52.92 -53.31 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 52.1 mt -53.88 -37.97 64.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.846 HD23 ' O ' ' A' ' 22' ' ' SER . 4.2 mm? -64.04 -55.82 19.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.8 mt-10 -47.91 -51.92 21.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.5 m-30 -44.1 -52.54 7.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -63.46 -32.52 73.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -85.89 -34.01 21.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' TYR . 51.2 t -41.28 101.29 0.24 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.81 43.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.4 Cg_endo -75.01 152.08 40.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.0 Cg_endo -75.04 155.82 42.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.612 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.1 Cg_endo -74.99 161.03 39.45 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.439 1.758 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 128.28 11.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.06 -31.9 7.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.612 HG21 ' HG2' ' A' ' 36' ' ' PRO . 13.8 t -63.69 134.19 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 4.7 tt0 -102.32 130.55 49.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.735 HD23 ' HA ' ' A' ' 53' ' ' VAL . 3.1 mp -114.83 152.04 32.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -109.93 134.1 52.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -71.63 138.35 48.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.762 HG22 ' HD3' ' A' ' 125' ' ' ARG . 89.6 t -95.95 94.9 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -30.23 71.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.626 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' OE1' ' HB2' ' A' ' 121' ' ' ALA . 1.3 tt0 -59.55 -15.23 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.426 ' C ' ' CG ' ' A' ' 48' ' ' GLN . 5.7 t -107.57 -18.59 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 108.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.426 ' CG ' ' C ' ' A' ' 47' ' ' CYS . 1.3 mt-30 79.32 -59.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -53.37 161.55 1.41 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 62.14 5.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -99.86 107.54 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.47 157.83 17.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.735 ' HA ' HD23 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -157.74 173.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 65.0 t60 -164.62 113.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.584 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -100.31 141.28 33.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 63' ' ' ARG . 19.4 m-20 -165.71 165.37 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.984 HG12 ' HB1' ' A' ' 133' ' ' ALA . 1.3 p -136.21 121.25 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.79 102.35 9.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.76 -80.77 0.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.6 23.08 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 6.8 pttt -140.32 141.95 35.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.744 HG21 HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -88.98 127.05 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -94.0 115.83 28.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 83' ' ' ARG . 11.3 mt -92.14 131.9 37.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.518 ' CD1' ' HD3' ' A' ' 36' ' ' PRO . 67.5 m-85 -134.89 123.38 23.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.671 ' CD1' HG23 ' A' ' 53' ' ' VAL . 70.0 m-85 -123.72 149.05 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -146.54 112.63 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.619 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -138.07 115.83 9.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.458 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.3 Cg_endo -74.91 -61.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 69' ' ' PRO . 16.6 t0 -39.19 -29.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 69' ' ' PRO . 11.5 mt-10 61.19 47.51 7.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.19 128.39 80.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.733 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.5 Cg_endo -74.93 -6.54 18.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 p -92.63 -33.2 14.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.0 t -92.12 -45.4 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 2.8 tttt -62.57 -42.6 99.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.93 -67.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 2.6 t80 -43.51 -46.18 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -46.75 -55.98 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -58.33 -40.18 93.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.446 1.092 . . . . 0.0 111.017 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 81' ' ' LEU . 4.3 tt -61.54 -42.09 98.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 0.738 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.77 -58.26 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -64.52 -23.76 67.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.537 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 4.4 mm-40 -54.62 -35.76 63.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.635 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -140.84 50.09 0.76 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 85' ' ' GLY . 66.4 mt -155.77 -45.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.42 113.86 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.14 -17.49 51.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.721 ' O ' HG13 ' A' ' 62' ' ' VAL . 44.7 mm-40 -68.44 -167.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.539 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 1.6 p -98.96 158.2 32.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.843 ' HG3' HG21 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.02 -8.83 20.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -93.19 -32.74 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -80.18 -35.17 36.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.744 HG21 HG21 ' A' ' 62' ' ' VAL . 60.5 t -69.46 -26.49 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.871 HD21 ' O ' ' A' ' 127' ' ' GLN . 10.6 mt -82.55 -33.35 28.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.46 -5.41 23.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 93' ' ' ALA . 75.4 t -80.33 127.56 75.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.22 41.72 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.33 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.66 24.79 3.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.568 ' HD1' HD11 ' A' ' 10' ' ' LEU . 4.7 p90 -54.06 -28.64 40.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.669 ' HB2' HD23 ' A' ' 107' ' ' LEU . 29.2 p90 -77.65 -28.84 51.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.453 ' HG2' ' CE1' ' A' ' 102' ' ' TYR . 8.2 mtp180 -47.39 128.46 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 72.13 77.17 0.56 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 7.6 m-85 -173.08 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 109' ' ' GLU . . . 154.04 -36.9 0.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.669 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -39.83 -54.25 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.805 ' HA ' HD11 ' A' ' 116' ' ' LEU . 2.5 tm-20 -55.52 -54.54 42.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 106' ' ' GLY . 2.4 mt-10 -40.11 -49.24 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -80.08 -54.69 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 112' ' ' THR . 54.6 m-85 -79.33 108.79 13.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 111' ' ' PHE . 7.3 p -41.04 162.67 0.11 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -5.83 17.3 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.43 1.752 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.97 -63.55 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -51.71 -35.91 44.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.805 HD11 ' HA ' ' A' ' 108' ' ' GLU . 11.5 mt -49.58 -48.98 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -39.98 -46.6 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.75 -51.7 49.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -49.33 -44.85 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.781 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -55.08 -49.02 72.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.546 ' HB2' ' OE1' ' A' ' 46' ' ' GLU . . . -54.39 -39.25 67.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -48.99 -53.18 21.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 127' ' ' GLN . 0.9 OUTLIER -65.95 -60.44 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' LEU . 17.0 mt -39.98 -35.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.762 ' HD3' HG22 ' A' ' 44' ' ' VAL . 8.1 mtt-85 -70.01 -55.83 8.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 130' ' ' VAL . 11.3 mt -53.76 -46.85 71.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.871 ' O ' HD21 ' A' ' 95' ' ' LEU . 26.4 mt-30 -56.84 -29.08 62.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.42 -40.49 29.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 51.0 mt-30 -65.7 -29.07 69.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 126' ' ' LEU . 58.0 t -65.48 -51.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 130' ' ' VAL . 20.9 mtp85 -36.34 -45.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -71.68 -46.45 58.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.984 ' HB1' HG12 ' A' ' 57' ' ' VAL . . . -54.07 -25.77 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 130' ' ' VAL . 17.8 mt -56.49 -39.84 73.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.7 p -101.7 -16.68 16.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.848 HG13 HD23 ' A' ' 6' ' ' LEU . 45.7 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.505 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 173.57 14.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.438 ' CA ' ' OE1' ' A' ' 8' ' ' GLN . 18.4 Cg_endo -75.03 -55.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.8 OUTLIER -40.05 -43.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.848 HD23 HG13 ' A' ' 2' ' ' VAL . 16.2 tp -75.61 -68.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.0 tptm -39.48 -33.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.438 ' OE1' ' CA ' ' A' ' 4' ' ' PRO . 1.4 mp0 -63.58 -52.13 62.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -60.54 -58.65 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.68 HD11 ' HD1' ' A' ' 101' ' ' PHE . 71.1 mt -47.79 -50.81 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.25 -59.53 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 16' ' ' LEU . 41.3 tp -51.39 -43.25 61.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -51.84 -63.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -56.75 -29.73 62.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -76.87 -25.49 53.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . 27.8 mt -73.94 157.38 87.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.512 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -74.96 136.37 20.4 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 17' ' ' PRO . 6.7 tttt -34.78 -68.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -34.48 -56.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.608 HD22 ' OE1' ' A' ' 23' ' ' GLN . 24.1 mt -62.48 -46.8 86.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.486 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 14.0 mtt180 -46.81 -23.8 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -80.92 -38.0 28.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.061 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.608 ' OE1' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -71.39 -50.6 30.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.525 ' N ' ' CG ' ' A' ' 23' ' ' GLN . 3.4 p -46.12 -48.84 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.664 ' CD1' ' CE1' ' A' ' 110' ' ' PHE . 30.8 mt -51.96 -46.66 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.51 -48.08 73.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.4 mm-40 -50.64 -57.37 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 6.2 m-30 -41.11 -58.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.2 -36.34 40.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -68.88 -25.48 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' TYR . 1.2 mppp? -96.13 30.33 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 28' ' ' TYR . 55.0 t -119.44 100.02 49.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.67 41.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -75.01 156.12 42.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.4 Cg_endo -74.94 158.03 42.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.02 159.29 41.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.9 11.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.17 -32.91 5.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.47 HG21 ' HG2' ' A' ' 36' ' ' PRO . 21.5 t -64.13 129.6 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 5.4 tt0 -98.43 118.79 35.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.54 146.56 28.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -103.73 120.58 41.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -56.55 147.79 21.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.619 HG22 ' CD ' ' A' ' 125' ' ' ARG . 32.2 t -103.7 91.67 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.26 -36.32 79.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.622 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -21.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.3 t -104.32 158.39 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 108.325 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -71.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.441 ' OG1' HG11 ' A' ' 75' ' ' VAL . 70.4 p -64.45 157.2 73.59 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 77.48 3.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CE1' HG12 ' A' ' 53' ' ' VAL . 2.3 t80 -93.38 105.35 17.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -89.98 142.5 27.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.707 HG12 ' HD1' ' A' ' 66' ' ' PHE . 20.9 m -136.26 163.21 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 11.1 t60 -162.17 125.07 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.51 129.3 55.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 1.1 m-20 -136.95 174.49 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 93.6 t -126.34 102.34 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.07 101.99 13.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.4 -83.65 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.572 1.17 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.31 13.16 2.06 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 22.8 mtmt -124.54 160.35 28.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -95.57 126.62 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 9.7 mmt180 -89.57 121.08 31.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 64' ' ' LEU . 1.7 mp -102.09 137.45 40.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 36.9 m-85 -147.06 119.78 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.707 ' HD1' HG12 ' A' ' 53' ' ' VAL . 59.7 m-85 -124.55 145.3 49.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -138.67 114.04 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.599 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.701 HG11 ' CG2' ' A' ' 75' ' ' VAL . 3.5 t -125.8 116.69 24.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -63.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -21.5 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 66.97 25.39 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.957 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -42.5 126.39 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.484 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -75.02 -11.11 21.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 p -96.07 -28.14 14.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.957 HG22 ' HB3' ' A' ' 72' ' ' ALA . 3.2 m -87.83 -45.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 75' ' ' VAL . 2.2 tttt -63.41 -49.96 71.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -38.92 -63.57 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.81 ' CD2' HD22 ' A' ' 119' ' ' LEU . 6.9 t80 -47.04 -52.31 15.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.75 -37.91 14.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.12 -26.61 63.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD23 ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -77.61 -32.67 53.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 86' ' ' LEU . 86.6 mt -69.79 -49.2 55.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.492 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -74.75 -13.41 60.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.542 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 3.4 mm-40 -59.75 -41.74 91.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.578 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -130.92 48.99 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.718 HD21 HG21 ' A' ' 97' ' ' VAL . 68.4 mt -154.99 -43.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.649 ' HA ' HD13 ' A' ' 64' ' ' LEU . 1.1 tt0 -48.52 119.15 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.07 -19.47 34.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.75 ' O ' HG13 ' A' ' 62' ' ' VAL . 64.0 mm-40 -65.18 177.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 1.008 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -88.25 158.49 49.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.703 ' HA ' HG22 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -74.98 -12.84 21.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.783 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -84.99 -33.89 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.9 -35.08 29.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.008 HG13 ' O ' ' A' ' 90' ' ' SER . 11.6 m -66.35 -48.48 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 127' ' ' GLN . 6.0 mt -56.46 -36.74 69.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.88 -11.44 18.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.718 HG21 HD21 ' A' ' 86' ' ' LEU . 21.5 t -74.76 120.34 81.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.522 ' O ' HD13 ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.0 160.2 40.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.03 8.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 102' ' ' TYR . . . -132.66 22.84 4.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.68 ' HD1' HD11 ' A' ' 10' ' ' LEU . 14.0 p90 -50.8 -31.86 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.557 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 41.7 p90 -72.23 -25.51 61.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HG3' ' CA ' ' A' ' 100' ' ' GLY . 21.5 mtp180 -51.02 145.84 6.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 56.55 80.13 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.9 m-85 -178.47 -45.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 150.59 -36.89 0.91 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mt -50.7 -24.07 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 0.736 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.05 -39.89 71.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -9.84 58.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -91.33 -63.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -83.74 130.6 34.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.0 p -54.1 157.2 4.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.88 16.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mt -87.54 -49.92 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -37.43 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 102' ' ' TYR . 9.1 mt -50.74 -44.4 58.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -54.46 -33.42 59.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.64 -31.92 25.87 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.81 HD22 ' CD2' ' A' ' 78' ' ' PHE . 19.5 mt -67.11 -36.67 82.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.55 -49.95 75.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.49 49.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -49.62 -57.55 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.731 ' C ' HD23 ' A' ' 123' ' ' LEU . 3.2 tt -57.25 -61.46 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.9 mt -44.74 -57.24 3.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.619 ' CD ' HG22 ' A' ' 44' ' ' VAL . 68.3 mtt-85 -46.82 -67.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.629 HD21 ' HB ' ' A' ' 53' ' ' VAL . 2.9 mt -41.24 -56.45 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.643 ' CD ' HD21 ' A' ' 123' ' ' LEU . 88.5 mt-30 -51.38 -36.46 43.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -69.91 -20.88 63.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 54' ' ' HIS . 8.1 mt-30 -87.49 -11.03 50.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' CB ' ' A' ' 91' ' ' PRO . 78.0 t -95.59 -49.01 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -46.83 -41.88 16.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.917 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -69.26 -32.88 72.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.509 ' N ' ' CD ' ' A' ' 132' ' ' LYS . . . -68.14 -30.63 69.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 91' ' ' PRO . 15.4 mt -62.47 -42.64 99.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.917 HG22 ' O ' ' A' ' 132' ' ' LYS . 15.0 t -71.55 -6.57 41.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.51 HG13 HD12 ' A' ' 6' ' ' LEU . 23.3 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.49 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.06 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.545 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -41.96 -37.6 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.51 HD12 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -80.24 -64.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -41.77 -32.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -47.57 81.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.764 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -65.17 -64.73 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.637 HD11 ' HD1' ' A' ' 101' ' ' PHE . 70.9 mt -40.95 -44.95 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -72.36 -65.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LEU . 28.8 tp -41.66 -45.76 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 10.2 t80 -57.8 -62.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -55.83 -19.11 10.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -89.11 -32.6 17.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.444 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 34.6 mt -70.55 160.32 81.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.671 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.01 134.73 18.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -33.96 -68.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 18' ' ' LYS . 2.1 pt-20 -34.92 -57.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.671 HD12 ' CG ' ' A' ' 17' ' ' PRO . 18.2 mt -57.37 -55.78 30.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.9 mtt180 -38.81 -31.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -64.52 -53.9 40.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.986 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.9 pt20 -66.14 -39.91 90.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -50.25 -64.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.629 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 78.7 mt -44.08 -39.83 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 26' ' ' LEU . 1.3 mm? -61.02 -56.09 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.1 -53.8 24.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -41.04 -44.7 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -64.3 -47.93 77.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.22 -19.97 16.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.05 24.51 3.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' CE ' ' A' ' 76' ' ' LYS . 58.0 t -116.17 100.99 53.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.51 36.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.1 Cg_endo -75.01 154.74 42.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -74.99 148.55 35.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.97 153.25 41.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.02 55.59 4.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.2 36.18 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 78.9 t -138.8 124.6 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -87.64 113.74 23.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mp -100.93 144.09 30.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -100.92 143.38 31.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -81.13 130.78 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.435 HG22 ' HD3' ' A' ' 125' ' ' ARG . 48.6 t -93.63 91.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -54.64 -39.87 68.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.569 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -43.44 -31.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.2 t -100.25 124.87 46.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.338 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -55.82 -33.12 64.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.0 p -77.34 155.88 81.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.611 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.02 66.99 6.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.799 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -91.05 141.76 28.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' ' O ' ' A' ' 50' ' ' PRO . 8.2 m-85 -137.82 140.59 40.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 1.118 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.9 p -143.92 155.28 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -152.84 134.02 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.573 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB1' HG22 ' A' ' 130' ' ' VAL . . . -117.52 151.33 37.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 39.5 m-20 -158.9 166.89 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.522 ' CG2' ' HB1' ' A' ' 133' ' ' ALA . 96.9 t -116.17 107.39 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.53 123.27 37.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.85 46.52 94.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.25 23.36 40.47 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 20.4 mttm -125.52 177.53 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 89' ' ' GLU . 90.4 t -110.42 124.52 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.578 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 3.5 mmt85 -103.55 108.77 20.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.54 150.95 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 65.2 m-85 -153.32 120.24 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.427 ' CD1' HG23 ' A' ' 53' ' ' VAL . 92.2 m-85 -117.85 165.79 13.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -151.76 115.18 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.604 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.69 HG21 ' HD2' ' A' ' 76' ' ' LYS . 95.7 t -127.98 100.28 24.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -60.46 -10.16 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' CA ' HG12 ' A' ' 68' ' ' VAL . 4.6 mt-10 66.28 14.73 9.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.47 119.98 4.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -75.02 -52.91 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.764 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 p -42.58 -28.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' PRO . 85.9 t -94.04 -36.42 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.69 ' HD2' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -60.66 -50.59 72.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 25' ' ' LEU . . . -46.85 -62.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 10.5 t80 -52.82 -56.8 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.34 -46.53 9.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 84' ' ' GLU . . . -68.19 -26.18 74.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -68.12 -41.12 82.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 78' ' ' PHE . 3.5 mm? -55.58 -59.19 5.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -62.6 -37.95 88.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.36 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.764 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -35.81 -36.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.558 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -147.88 54.35 0.52 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 85' ' ' GLY . 77.7 mt -156.27 -45.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.427 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 4.8 tt0 -55.65 115.53 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.61 -15.47 59.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 62' ' ' VAL . 52.8 mm-40 -68.65 -173.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 p -94.15 158.46 35.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.961 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.99 -9.18 20.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.62 -39.03 10.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.58 -32.23 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.449 HG22 HD22 ' A' ' 86' ' ' LEU . 3.4 t -68.51 -44.35 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.961 HD23 ' O ' ' A' ' 91' ' ' PRO . 3.9 mm? -58.17 -36.2 72.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.53 -27.56 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.492 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 25.6 t -63.64 112.77 7.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.407 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.0 164.59 33.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HA ' HD23 ' A' ' 123' ' ' LEU . 18.6 Cg_endo -74.92 -0.42 9.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -129.32 24.47 4.7 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.637 ' HD1' HD11 ' A' ' 10' ' ' LEU . 3.1 p90 -58.95 -23.45 61.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.625 ' HB2' HD23 ' A' ' 107' ' ' LEU . 21.7 p90 -81.68 -25.35 35.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -51.46 134.44 28.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 63.12 79.18 0.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 4.8 m-85 -175.6 -46.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 159.61 -43.25 0.45 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -47.24 -43.27 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.734 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.39 -57.21 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.98 -47.17 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.98 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.629 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 56.7 m-85 -85.46 150.48 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -71.16 162.95 69.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -10.0 20.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -89.23 -54.52 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -31.15 65.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' GLY . 20.1 mt -67.74 -47.0 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' LEU . 8.3 mtm180 -38.78 -30.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -94.73 -55.87 1.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.591 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.2 mp -41.7 -36.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 121' ' ' ALA . 21.4 mm-40 -69.0 -47.76 64.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -39.34 -49.2 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.97 -70.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' ' 97' ' ' VAL . 60.9 tp -43.65 -57.81 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 121' ' ' ALA . 13.1 mt -45.76 -55.37 6.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.435 ' HD3' HG22 ' A' ' 44' ' ' VAL . 3.1 mtt85 -56.46 -59.55 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.118 HD21 ' CG2' ' A' ' 53' ' ' VAL . 3.7 mt -47.36 -50.18 22.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.563 ' HB3' HD13 ' A' ' 95' ' ' LEU . 49.6 mt-30 -60.97 -26.51 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -86.27 -15.72 39.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -98.64 -25.12 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 126' ' ' LEU . 33.2 t -80.82 -52.38 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.807 ' HG3' HD11 ' A' ' 95' ' ' LEU . 22.2 mtp180 -35.62 -33.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' VAL . 2.3 mtpp -66.07 -55.87 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.522 ' HB1' ' CG2' ' A' ' 57' ' ' VAL . . . -43.89 -47.35 8.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' A' ' 91' ' ' PRO . 8.1 mp -43.46 -37.9 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' LYS . 13.9 t -117.64 28.61 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.843 HG12 ' HA ' ' A' ' 97' ' ' VAL . 3.7 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.424 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.96 176.14 10.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 3' ' ' PRO . 18.1 Cg_endo -75.05 -56.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' OE2' ' A' ' 84' ' ' GLU . 4.0 mtpt -38.99 -35.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -83.71 -64.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 7.7 tptt -42.75 -33.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -67.63 -49.25 63.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -55.82 -58.68 6.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 102' ' ' TYR . 36.6 mt -48.35 -58.06 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.29 -62.24 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.0 tp -46.71 -59.46 3.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 22.6 t80 -38.93 -63.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.24 -33.63 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.2 t -71.28 -22.15 62.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 12' ' ' LEU . 44.3 mt -79.29 159.86 71.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.484 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.1 Cg_endo -75.1 135.44 18.91 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -35.21 -68.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.364 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 12.6 pt-20 -36.03 -46.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD12 ' CG ' ' A' ' 17' ' ' PRO . 11.4 mt -70.75 -52.63 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -38.73 -50.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.486 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -52.37 -48.24 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.98 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -65.41 -39.86 92.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 28' ' ' TYR . 39.9 t -52.68 -63.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' HG ' ' CE1' ' A' ' 13' ' ' PHE . 71.6 mt -42.39 -41.5 2.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 22' ' ' SER . 3.8 mm? -65.07 -56.76 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.1 mt-10 -45.78 -52.43 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.507 ' CE1' HG13 ' A' ' 24' ' ' VAL . 3.4 m-30 -43.17 -57.83 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -51.22 -42.92 61.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -59.07 -25.77 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.87 39.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 28' ' ' TYR . 87.5 t -128.55 98.13 26.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.31 41.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.2 Cg_endo -74.99 155.69 42.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.04 153.84 41.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.1 Cg_endo -75.03 163.99 34.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.35 13.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.91 -39.58 2.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.577 HG21 ' HG2' ' A' ' 36' ' ' PRO . 60.0 t -57.41 122.38 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.456 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 15.6 tt0 -90.84 126.68 36.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.577 HD23 ' CB ' ' A' ' 54' ' ' HIS . 1.4 mp -117.41 144.46 44.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -104.87 133.85 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 50' ' ' PRO . 15.8 ttt180 -72.02 148.78 45.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 121' ' ' ALA . 43.2 t -95.91 90.65 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -56.31 -29.41 61.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -62.8 -17.65 61.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.3 t -109.37 131.48 55.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 1.2 mt-30 -58.31 -68.22 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -52.09 160.49 1.19 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 43' ' ' ARG . 18.2 Cg_endo -75.0 110.32 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 8.4 t80 -136.94 135.88 38.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -131.71 132.69 44.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.957 ' HB ' HD21 ' A' ' 126' ' ' LEU . 22.6 m -128.67 159.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.577 ' CB ' HD23 ' A' ' 41' ' ' LEU . 69.1 t60 -164.29 127.43 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.604 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.33 152.85 36.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -159.15 163.1 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 90.8 t -117.64 107.43 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -102.7 102.53 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.44 -79.16 1.94 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.29 23.67 0.45 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 3.1 mttt -129.0 176.62 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 89' ' ' GLU . 26.4 t -105.64 137.71 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 11.8 mmt-85 -118.11 102.72 9.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.742 ' CD2' HD13 ' A' ' 126' ' ' LEU . 7.7 mt -92.07 149.92 21.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 60.1 m-85 -152.95 119.91 5.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.717 ' CD2' HG12 ' A' ' 53' ' ' VAL . 78.0 m-85 -121.54 154.13 37.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -142.91 122.64 13.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.635 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 71' ' ' GLU . 45.2 t -128.22 111.23 19.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.94 -70.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -39.67 -30.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' A' ' 69' ' ' PRO . 0.4 OUTLIER 70.15 58.16 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.937 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -84.28 134.18 43.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.95 -29.01 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -87.37 -15.23 38.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.937 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 58.5 t -94.23 -42.39 12.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 3.8 tttt -71.63 -43.92 65.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -41.44 -66.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.945 ' CG ' HD13 ' A' ' 119' ' ' LEU . 8.8 t80 -50.47 -59.76 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . . . -41.66 -47.09 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 84' ' ' GLU . . . -65.4 -32.62 84.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -60.62 -33.46 72.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 86' ' ' LEU . 2.6 mm? -68.45 -51.02 48.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HG2' ' CB ' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -72.61 -12.61 61.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.622 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -66.14 -36.12 82.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.61 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -141.19 56.22 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 85' ' ' GLY . 63.6 mt -156.09 -48.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.467 ' CB ' ' HG2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -54.25 124.37 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.48 -10.66 74.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.96 ' O ' HG23 ' A' ' 62' ' ' VAL . 72.8 mm-40 -76.93 -174.08 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -92.62 161.84 31.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.011 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.895 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.04 -11.26 21.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -95.04 -37.08 11.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 96' ' ' GLU . . . -75.87 -13.8 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.466 HG21 HG11 ' A' ' 62' ' ' VAL . 6.1 t -90.17 -36.22 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.895 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.1 mm? -73.49 -37.89 65.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 11.9 pt-20 -57.87 -16.41 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.843 ' HA ' HG12 ' A' ' 2' ' ' VAL . 4.1 t -76.44 120.16 80.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 166.74 28.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.526 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -75.02 -0.0 9.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.94 36.1 2.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 7.8 p90 -64.41 -25.87 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.786 ' HB2' HD23 ' A' ' 107' ' ' LEU . 39.8 p90 -80.44 -9.79 59.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -52.51 146.45 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 53.25 76.54 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 11.7 m-85 -171.14 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 108' ' ' GLU . . . 163.29 -45.77 0.33 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.786 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -39.51 -30.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 116' ' ' LEU . 1.2 mt-10 -54.76 -59.77 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.249 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -32.62 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.404 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -57.58 -48.43 79.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 115' ' ' ARG . 83.4 m-85 -114.07 16.56 18.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.062 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.432 ' O ' HD12 ' A' ' 116' ' ' LEU . 3.0 p 54.16 166.71 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -9.54 20.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -88.06 -69.17 0.71 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -42.97 -26.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.666 HD13 ' HE1' ' A' ' 102' ' ' TYR . 48.7 mt -76.13 -55.73 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 116' ' ' LEU . 18.8 mtt180 -38.36 -42.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -76.51 -41.3 25.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.945 HD13 ' CG ' ' A' ' 78' ' ' PHE . 30.7 mt -61.58 -48.04 82.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 119' ' ' LEU . 53.3 mt-10 -38.2 -47.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 46' ' ' GLU . . . -44.35 -48.89 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.464 ' HB2' ' HE2' ' A' ' 51' ' ' PHE . . . -40.32 -65.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.56 HD22 ' HG3' ' A' ' 127' ' ' GLN . 0.7 OUTLIER -55.67 -61.77 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 99' ' ' PRO . 31.7 mt -38.91 -43.96 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 128' ' ' ALA . 8.5 mtp85 -65.86 -62.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.957 HD21 ' HB ' ' A' ' 53' ' ' VAL . 49.2 mt -42.34 -55.86 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.674 ' HB3' HD13 ' A' ' 95' ' ' LEU . 23.2 mt-30 -45.53 -37.54 5.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -72.77 -39.93 66.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.462 ' OE1' ' ND1' ' A' ' 54' ' ' HIS . 32.5 mt-30 -63.85 -31.46 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.52 ' HB ' HD21 ' A' ' 95' ' ' LEU . 60.7 t -78.3 -58.72 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.755 ' HG3' HD11 ' A' ' 95' ' ' LEU . 6.2 mtt180 -41.18 -36.72 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.871 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -63.12 -46.52 86.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -52.06 -48.68 64.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 91' ' ' PRO . 8.3 mp -43.75 -41.3 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.871 HG22 ' O ' ' A' ' 132' ' ' LYS . 14.8 t -89.6 -27.02 20.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 132' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.718 ' CG1' HD23 ' A' ' 6' ' ' LEU . 44.9 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.01 173.13 15.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -74.98 -55.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HE2' ' N ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -38.44 -37.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.718 HD23 ' CG1' ' A' ' 2' ' ' VAL . 11.1 tp -86.61 -61.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -41.57 -33.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -49.63 71.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -63.54 -65.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.644 HD11 ' HD1' ' A' ' 101' ' ' PHE . 60.9 mt -40.63 -53.69 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.39 -65.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' LEU . 15.9 tp -41.68 -48.26 4.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -55.06 -61.46 2.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -51.46 -30.66 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 t -78.94 -36.97 40.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' LEU . 21.8 mt -60.53 154.86 52.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.03 137.43 21.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 17' ' ' PRO . 4.6 ttmm -34.38 -69.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -34.09 -55.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ARG . 14.8 mt -63.54 -54.55 34.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' LEU . 8.1 mtt180 -35.08 -38.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 23' ' ' GLN . 26.4 p -65.33 -64.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' N ' ' OG ' ' A' ' 22' ' ' SER . 2.1 mm100 -47.22 -32.25 4.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 20' ' ' LEU . 93.7 t -62.32 -66.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 mt -40.34 -36.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.1 mt -70.19 -53.34 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -50.34 -44.64 54.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 4.2 m-30 -52.84 -62.01 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -55.4 -32.37 62.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -65.33 -32.57 74.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -81.66 -32.66 31.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' TYR . 55.0 t -46.64 104.44 0.41 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 157.0 42.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -74.96 155.53 43.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.5 Cg_endo -74.96 150.38 38.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 111.035 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.617 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 153.46 41.82 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.78 5.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.538 1.809 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.16 -20.73 9.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.617 HG21 ' HG2' ' A' ' 36' ' ' PRO . 40.1 t -79.22 123.87 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -89.31 125.82 35.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 65' ' ' TYR . 2.1 mp -111.2 147.26 35.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.56 130.6 52.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.86 147.17 53.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 51' ' ' PHE . 21.6 t -107.15 91.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -54.12 -33.44 57.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.611 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.99 -29.98 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.1 t -97.27 134.46 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.25 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -52.7 -47.54 67.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.4 p -77.4 159.51 77.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 75.26 3.75 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' VAL . 23.6 t80 -89.31 124.59 34.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -111.69 127.51 55.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.565 HG12 ' HD1' ' A' ' 66' ' ' PHE . 15.6 m -124.74 162.22 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -161.91 116.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.595 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -111.53 132.93 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 5.1 m-20 -143.63 167.54 22.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.41 111.21 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -105.87 102.42 11.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.234 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.73 -75.14 2.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.64 22.5 0.41 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -134.48 154.53 51.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -96.82 126.03 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.467 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -96.32 107.11 19.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 83' ' ' ARG . 27.8 mt -82.49 136.39 34.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.557 ' HB3' HD21 ' A' ' 41' ' ' LEU . 55.9 m-85 -136.41 139.67 42.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.565 ' HD1' HG12 ' A' ' 53' ' ' VAL . 71.2 m-85 -147.86 142.33 26.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -130.53 112.17 12.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.6 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.41 112.65 37.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -65.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.85 ' OD2' ' HB2' ' A' ' 72' ' ' ALA . 9.4 p-10 -50.06 -25.02 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 64.44 52.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HB2' ' OD2' ' A' ' 70' ' ' ASP . . . -77.1 133.35 69.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.65 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.1 Cg_endo -75.06 -6.43 18.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.73 -32.2 12.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' HA ' HD21 ' A' ' 119' ' ' LEU . 78.8 t -88.12 -43.46 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.667 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 8.1 tttt -66.35 -46.52 76.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -41.94 -58.68 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 119' ' ' LEU . 2.5 t80 -51.33 -53.73 33.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.444 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -45.43 -39.1 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.16 -35.8 47.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.744 ' O ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -68.83 -29.09 67.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.36 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 86.9 mt -70.1 -59.91 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.745 ' HA ' HD12 ' A' ' 64' ' ' LEU . 2.2 ptt85 -60.16 -33.5 72.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.576 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 2.8 mm-40 -36.69 -55.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.683 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -127.07 51.23 0.86 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 85' ' ' GLY . 57.6 mt -156.02 -45.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tt0 -65.19 118.59 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.05 -25.34 28.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 62' ' ' VAL . 74.6 mm-40 -71.81 174.61 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.992 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.6 m -78.54 159.28 74.85 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.969 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.02 -6.65 18.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.15 -35.5 18.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 96' ' ' GLU . . . -81.85 -26.03 34.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.992 HG13 ' O ' ' A' ' 90' ' ' SER . 4.4 m -75.93 -43.75 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.969 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.2 mm? -62.02 -38.35 88.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 1.8 pt-20 -58.06 -18.66 26.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 86' ' ' LEU . 38.7 t -72.03 116.12 45.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.528 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.98 174.3 13.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.455 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.4 Cg_endo -75.0 -2.41 12.51 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.81 55.07 0.6 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.653 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 8.1 p90 -75.84 -33.92 60.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 48.6 p90 -69.5 -28.08 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -42.71 128.03 4.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 73.6 77.34 0.62 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 3.5 m-85 -175.69 -47.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 0.739 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 154.46 -39.09 0.66 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.502 HD13 HD21 ' A' ' 81' ' ' LEU . 10.6 mt -49.09 -56.03 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -40.17 -40.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -77.94 -57.87 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.72 -66.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -81.89 141.87 32.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 112' ' ' THR . 40.1 p -60.99 156.24 49.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -19.0 18.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.62 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 118' ' ' GLY . 8.1 mtm-85 -62.71 -43.12 99.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.43 HD22 ' CZ ' ' A' ' 102' ' ' TYR . 6.4 mt -43.48 -47.32 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -53.16 -39.42 63.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -74.5 -39.37 42.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 38.1 mt -62.21 -58.01 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 123' ' ' LEU . 12.8 mt-10 -43.3 -50.52 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -34.14 -46.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.597 ' C ' HD12 ' A' ' 126' ' ' LEU . . . -42.23 -53.93 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.528 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 15.2 tp -60.06 -45.29 93.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.5 mm? -56.0 -51.71 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 18.3 mtp85 -64.02 -59.88 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.597 HD12 ' C ' ' A' ' 122' ' ' ALA . 4.7 mt -44.66 -54.05 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 95' ' ' LEU . 57.2 mt-30 -53.85 -33.94 57.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -72.63 -28.09 62.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.612 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 95.4 mt-30 -80.81 -23.58 39.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 126' ' ' LEU . 61.5 t -82.65 -62.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.783 ' HG3' HD11 ' A' ' 95' ' ' LEU . 2.5 mtt180 -38.4 -38.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 133' ' ' ALA . 2.4 pttt -71.01 -50.32 35.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 132' ' ' LYS . . . -51.8 -39.01 57.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 91' ' ' PRO . 14.7 mt -54.02 -42.01 68.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.2 t -107.23 19.15 20.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 132' ' ' LYS . 54.8 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.517 ' CG1' HD23 ' A' ' 6' ' ' LEU . 12.4 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.99 168.69 24.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.98 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -39.84 -46.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.591 HD11 HD21 ' A' ' 81' ' ' LEU . 14.8 tp -78.58 -58.26 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -41.4 -33.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -48.21 66.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -64.02 -51.41 64.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.675 HD13 ' CE2' ' A' ' 105' ' ' TYR . 40.7 mt -54.07 -62.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -51.39 -48.97 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -53.53 -68.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.906 ' N ' HD13 ' A' ' 12' ' ' LEU . 36.4 t80 -40.33 -61.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -46.13 -33.39 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' LEU . 5.7 t -77.74 -38.54 46.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.551 HD13 HG21 ' A' ' 24' ' ' VAL . 16.4 mt -55.2 154.51 10.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.516 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.3 Cg_endo -74.99 134.53 17.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 17' ' ' PRO . 9.0 tttm -35.36 -68.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.5 pt-20 -35.03 -48.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.516 HD12 ' CG ' ' A' ' 17' ' ' PRO . 15.4 mt -69.49 -51.92 31.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.6 mtm180 -43.46 -35.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.38 -51.52 69.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -69.89 -34.42 73.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.551 HG21 HD13 ' A' ' 16' ' ' LEU . 67.7 t -55.63 -69.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.549 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 82.7 mt -41.79 -40.91 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.55 -52.84 62.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.9 mt-10 -49.91 -57.77 6.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.575 ' HA ' ' HZ3' ' A' ' 31' ' ' LYS . 3.0 m-85 -35.2 -57.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -51.06 -45.5 61.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -62.41 -25.99 68.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.575 ' HZ3' ' HA ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -79.59 -33.53 41.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.59 HG22 ' HA2' ' A' ' 80' ' ' GLY . 79.2 t -52.23 107.24 0.79 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.03 161.46 38.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.1 Cg_endo -75.02 153.49 41.7 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.2 Cg_endo -74.98 142.45 27.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.607 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 163.36 35.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.28 18.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.81 -25.03 27.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.607 HG21 ' HG2' ' A' ' 36' ' ' PRO . 54.5 t -68.72 130.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.7 116.34 32.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.69 145.01 32.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -108.1 136.24 48.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.91 146.31 54.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.741 HG22 ' CD ' ' A' ' 125' ' ' ARG . 70.5 t -103.03 91.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -43.59 68.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.605 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.535 ' CD ' ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -43.64 -30.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.8 t -98.72 131.15 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.294 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -53.61 -46.7 70.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.0 p -72.93 157.59 88.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 67.02 5.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' VAL . 13.5 t80 -88.29 119.5 28.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -100.35 167.02 10.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.893 HG23 ' CD2' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -160.43 170.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 39' ' ' VAL . 61.0 t60 -165.39 157.29 14.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -147.29 130.8 16.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 79.8 m-20 -148.71 161.33 41.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.449 HG23 ' CB ' ' A' ' 133' ' ' ALA . 94.6 t -121.1 105.81 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -97.61 102.51 14.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.95 -78.26 1.71 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.84 20.46 0.78 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 20.2 mttt -132.07 150.78 52.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -92.43 121.42 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 7.5 mmt180 -93.49 103.07 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 86' ' ' LEU . 59.6 mt -86.43 146.29 26.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 69.0 m-85 -147.94 151.18 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.893 ' CD2' HG23 ' A' ' 53' ' ' VAL . 67.7 m-85 -152.85 150.48 29.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -135.33 112.38 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.581 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.645 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.2 t -113.1 110.62 51.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -75.01 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.57 -27.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' PRO . 3.0 mt-10 70.66 35.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.04 131.29 95.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.634 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -74.97 -6.08 17.62 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.9 p -95.74 -41.97 8.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.87 -41.88 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.645 ' HG3' HG21 ' A' ' 68' ' ' VAL . 2.7 tttt -67.18 -42.15 84.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.76 -66.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.751 ' CD2' HD22 ' A' ' 119' ' ' LEU . 1.2 t80 -50.9 -53.39 33.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.33 -33.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.59 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -79.0 -44.01 10.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.053 HD22 ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -62.02 -29.63 70.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.735 ' N ' HD13 ' A' ' 81' ' ' LEU . 78.3 mt -66.77 -66.36 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 33' ' ' PRO . 5.8 ptt85 -60.54 -19.94 58.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 4.8 mm-40 -54.18 -57.9 9.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.618 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -120.69 52.07 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 85' ' ' GLY . 64.9 mt -155.5 -46.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.26 117.99 6.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.44 -18.84 54.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.659 ' O ' HG13 ' A' ' 62' ' ' VAL . 25.3 mm-40 -72.23 -171.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.637 ' O ' HG23 ' A' ' 94' ' ' VAL . 6.3 p -95.13 157.87 35.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 130' ' ' VAL . 18.4 Cg_endo -74.94 -18.92 18.48 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.478 1.778 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.43 -36.25 63.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.639 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -83.97 -36.62 23.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 62' ' ' VAL . 58.8 t -66.64 -18.39 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 127' ' ' GLN . 9.1 mt -93.95 -39.65 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.62 -10.57 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 93' ' ' ALA . 28.3 t -77.71 127.98 80.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.06 168.46 24.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -4.53 15.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -136.99 55.18 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 6.6 p90 -80.56 -14.72 57.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.789 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.902 ' CE1' HD22 ' A' ' 116' ' ' LEU . 52.6 p90 -88.93 -16.04 32.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -53.09 127.21 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.82 76.89 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.675 ' CE2' HD13 ' A' ' 10' ' ' LEU . 6.1 m-85 -167.36 -49.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.781 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.84 -53.05 0.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.57 -47.45 63.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.05 -34.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.32 -60.04 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -41.41 -68.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -69.12 143.37 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.9 p -64.82 161.26 47.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -7.3 19.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -88.93 -65.33 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 118' ' ' GLY . 16.8 mtt180 -52.41 -40.69 62.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.902 HD22 ' CE1' ' A' ' 102' ' ' TYR . 9.0 mt -44.62 -41.72 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -52.93 -42.37 65.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -69.02 -28.49 72.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.751 HD22 ' CD2' ' A' ' 78' ' ' PHE . 33.4 mt -66.32 -53.24 38.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 0.802 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.88 -46.92 64.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.678 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -46.27 -35.2 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.859 ' O ' HD22 ' A' ' 126' ' ' LEU . . . -56.76 -73.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.612 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.6 tm? -42.26 -53.23 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 121' ' ' ALA . 10.5 mt -42.8 -54.36 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.741 ' CD ' HG22 ' A' ' 44' ' ' VAL . 18.6 mtt-85 -50.82 -71.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -38.18 -63.88 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.658 ' O ' HD21 ' A' ' 95' ' ' LEU . 31.6 mt-30 -39.98 -42.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -68.16 -43.13 78.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.694 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 91.9 mt-30 -66.72 -56.04 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.573 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 97.2 t -43.29 -48.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.86 ' O ' HG22 ' A' ' 135' ' ' THR . 10.7 mtt-85 -41.62 -48.57 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -64.66 -39.05 93.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -68.16 -30.59 69.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.832 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -83.28 -50.48 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.86 HG22 ' O ' ' A' ' 131' ' ' ARG . 13.0 t -86.82 20.96 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 132' ' ' LYS . 12.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.579 HG13 HD12 ' A' ' 6' ' ' LEU . 21.7 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.03 176.21 10.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLN . 18.2 Cg_endo -74.99 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' O ' ' OE2' ' A' ' 84' ' ' GLU . 2.8 mttt -50.55 -42.05 54.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.579 HD12 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -75.74 -62.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -29.14 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' PRO . 16.8 mt-30 -65.82 -50.86 63.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.755 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -57.34 -53.11 61.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 53.2 mt -50.61 -70.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -48.33 -49.11 35.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' LEU . 41.4 tp -55.17 -47.23 75.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 1.5 t80 -51.96 -61.99 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -60.02 -15.71 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -94.12 -17.98 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' LEU . 34.0 mt -81.06 158.37 70.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.594 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -74.98 136.23 20.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.0 OUTLIER -36.04 -69.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.2 pt-20 -35.96 -44.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.594 HD12 ' CG ' ' A' ' 17' ' ' PRO . 14.4 mt -74.18 -49.15 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' LYS . 31.1 mtt180 -38.23 -30.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.4 t -66.28 -52.54 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' LEU . 6.0 pt20 -61.92 -37.74 85.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 28' ' ' TYR . 70.1 t -45.44 -46.81 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.744 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 86.0 mt -63.55 -48.33 77.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -57.48 -56.21 24.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 28' ' ' TYR . 2.1 mt-10 -41.97 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.666 ' O ' HG23 ' A' ' 32' ' ' VAL . 11.1 m-85 -35.65 -62.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.14 -57.57 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.77 -27.95 8.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -92.23 36.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 28' ' ' TYR . 39.9 t -138.07 92.19 12.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.54 41.99 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.569 1.826 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.61 41.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 160.68 39.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.929 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.01 170.35 20.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.19 20.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.37 55.42 0.76 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.929 HG11 ' HD2' ' A' ' 36' ' ' PRO . 3.4 p -161.06 150.47 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -126.27 112.61 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -80.92 168.11 19.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.377 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 125' ' ' ARG . 29.5 tt0 -115.71 100.54 8.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' NH1' ' CE1' ' A' ' 45' ' ' HIS . 8.3 ttp85 -49.35 127.55 15.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.763 HG22 ' HD3' ' A' ' 125' ' ' ARG . 59.8 t -90.03 100.8 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.429 ' CE1' ' NH1' ' A' ' 43' ' ' ARG . 14.6 m-70 -62.5 -37.25 85.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -37.96 17.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.64 114.39 26.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -39.52 -57.38 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -59.36 155.11 38.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 70.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -91.75 105.4 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.517 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 5.2 m-85 -96.2 140.68 30.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.82 ' HB ' HD21 ' A' ' 126' ' ' LEU . 17.2 m -136.13 160.81 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.502 ' HB3' ' CB ' ' A' ' 65' ' ' TYR . 22.4 t-80 -158.2 128.26 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' ARG . . . -127.31 128.05 45.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -130.16 176.0 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 79.3 t -132.94 100.36 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -96.66 101.66 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.54 -89.57 1.54 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.59 7.33 3.05 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 9.1 ptpt -111.77 174.25 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.678 HG21 HG21 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -109.87 125.17 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -87.18 122.46 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.789 HD13 ' HA ' ' A' ' 87' ' ' GLU . 4.7 mp -97.27 130.79 44.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.502 ' CB ' ' HB3' ' A' ' 54' ' ' HIS . 22.4 m-85 -142.42 119.89 11.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.704 ' HD1' HG12 ' A' ' 53' ' ' VAL . 62.4 m-85 -124.53 126.3 45.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.542 ' N ' HD12 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -110.76 123.53 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.1 t -133.95 112.82 12.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -63.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -33.22 72.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.04 67.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -86.18 132.68 42.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.4 Cg_endo -74.95 -5.65 17.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.39 -39.87 9.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.1 t -81.5 -42.57 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 32' ' ' VAL . 19.0 tttt -63.74 -38.11 89.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -41.33 -68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -45.92 -52.07 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -43.9 -47.44 8.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.524 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -66.75 -44.66 88.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.586 ' O ' HD12 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -59.03 -24.09 62.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.69 ' O ' HD12 ' A' ' 86' ' ' LEU . 42.3 mt -82.5 -45.76 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.501 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 4.5 ttt180 -74.09 -20.64 60.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.755 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -58.0 -38.46 76.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.488 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -133.2 55.66 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 82' ' ' LEU . 93.2 mt -156.39 -43.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.789 ' HA ' HD13 ' A' ' 64' ' ' LEU . 7.4 tp10 -46.5 115.73 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 89' ' ' GLU . . . 95.01 -27.91 13.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.646 ' O ' HG13 ' A' ' 62' ' ' VAL . 6.6 mm-40 -49.51 -177.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.508 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 2.0 p -100.76 161.52 23.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.881 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.06 -7.56 19.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.95 -38.47 16.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.846 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -84.75 -36.72 21.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.678 HG21 HG21 ' A' ' 62' ' ' VAL . 54.6 t -68.05 -17.18 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 91' ' ' PRO . 8.4 mt -94.1 -43.76 8.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -58.45 -18.01 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 93' ' ' ALA . 74.4 t -60.94 121.88 65.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 160.81 39.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.799 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -74.97 -2.13 12.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -125.58 33.55 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.63 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 22.2 p90 -65.01 -15.27 62.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.904 ' CZ ' HD12 ' A' ' 116' ' ' LEU . 38.3 p90 -96.81 -26.81 14.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.92 126.16 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 72.16 77.65 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 6.5 m-85 -171.74 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 109' ' ' GLU . . . 153.27 -36.39 0.76 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.769 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -39.31 -61.0 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -50.67 -39.93 52.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 106' ' ' GLY . 1.6 tt0 -57.02 -36.61 70.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -90.98 -45.17 8.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.901 ' HB2' HD21 ' A' ' 116' ' ' LEU . 62.7 m-85 -95.89 123.3 39.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.716 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -50.58 155.58 1.82 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 112' ' ' THR . 18.2 Cg_endo -74.97 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.97 -43.98 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -68.43 -38.5 81.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.904 HD12 ' CZ ' ' A' ' 102' ' ' TYR . 3.7 mm? -55.11 -50.01 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' LEU . 14.9 mtt180 -38.04 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' LEU . . . -91.71 -56.05 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.627 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 2.0 mp -38.85 -43.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.612 ' O ' HD22 ' A' ' 124' ' ' LEU . 36.4 mt-10 -55.52 -56.22 22.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -38.67 -35.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -52.28 -56.47 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.504 HD21 HG12 ' A' ' 97' ' ' VAL . 13.7 tp -59.84 -61.18 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 99' ' ' PRO . 1.4 mm? -45.47 -51.35 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.763 ' HD3' HG22 ' A' ' 44' ' ' VAL . 26.8 mtt-85 -53.87 -64.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.82 HD21 ' HB ' ' A' ' 53' ' ' VAL . 5.5 mt -48.41 -49.61 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.695 ' O ' HD21 ' A' ' 95' ' ' LEU . 78.5 mt-30 -55.82 -28.35 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.83 -25.49 35.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -77.77 -36.58 50.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 133' ' ' ALA . 99.3 t -65.63 -45.41 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -47.59 -25.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.722 ' O ' HG22 ' A' ' 135' ' ' THR . 19.8 mmmt -81.84 -37.17 27.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -66.67 -36.29 82.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.32 -45.08 80.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 132' ' ' LYS . 13.0 t -76.61 -0.3 22.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 39.1 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.98 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.94 -56.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' PRO . 11.3 mmmt -38.2 -32.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.667 HD11 ' CE2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -88.42 -62.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -43.23 -31.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -44.6 60.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -64.53 -58.72 5.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.733 HD11 ' HD2' ' A' ' 101' ' ' PHE . 46.2 mt -47.55 -56.27 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -58.7 -64.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' LEU . 44.0 tp -44.08 -55.61 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -48.05 -63.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -49.42 -25.7 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -37.91 21.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' LEU . 26.2 mt -51.43 156.6 2.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.632 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.03 134.26 17.54 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.2 ptmt -34.1 -67.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -35.4 -53.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.632 HD12 ' CG ' ' A' ' 17' ' ' PRO . 36.6 mt -65.86 -43.5 88.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 1.2 mtm105 -49.2 -21.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.502 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -85.21 -31.58 23.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.514 ' CG ' ' N ' ' A' ' 24' ' ' VAL . 1.2 pt20 -79.09 -48.44 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.514 ' N ' ' CG ' ' A' ' 23' ' ' GLN . 4.0 p -49.17 -54.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' N ' HG13 ' A' ' 24' ' ' VAL . 85.1 mt -45.99 -37.36 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 22' ' ' SER . 4.2 mm? -76.81 -48.06 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.705 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 3.6 mt-10 -48.54 -59.62 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 84' ' ' GLU . 7.6 m-30 -38.69 -65.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -50.48 -32.05 17.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -66.77 -36.02 81.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.497 ' NZ ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -76.57 -36.93 57.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' LYS . 55.1 t -39.58 99.05 0.19 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 156.18 43.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.42 41.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.09 42.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.82 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.901 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.98 167.41 27.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.46 4.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . 125.84 -59.15 0.66 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.901 HG11 ' HD2' ' A' ' 36' ' ' PRO . 6.6 p -39.18 136.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.78 120.57 42.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -92.79 144.36 25.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -106.58 121.96 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' CD ' ' HA ' ' A' ' 50' ' ' PRO . 18.8 ttp85 -62.04 138.35 58.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' PHE . 46.8 t -96.41 91.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -50.91 -42.24 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -42.51 -33.26 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.25 133.8 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.04 -41.61 75.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.5 p -76.6 156.25 83.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.394 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 74.48 4.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.557 1.819 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -88.09 116.97 26.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 8.9 m-85 -107.2 151.5 25.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.666 HG23 ' CD1' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -159.96 171.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -165.4 123.8 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.663 ' HB1' HG22 ' A' ' 130' ' ' VAL . . . -109.99 139.96 44.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -149.21 172.2 15.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.458 HG23 ' CB ' ' A' ' 133' ' ' ALA . 72.7 t -125.35 111.65 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.94 124.63 26.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.96 35.81 90.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.62 6.67 51.14 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 11.5 mtpt -107.62 177.71 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 89' ' ' GLU . 21.5 t -111.25 115.87 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -82.92 105.42 13.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.955 HD13 ' HA ' ' A' ' 87' ' ' GLU . 5.8 mp -92.48 136.05 33.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 58.4 m-85 -139.77 119.7 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.666 ' CD1' HG23 ' A' ' 53' ' ' VAL . 74.3 m-85 -123.81 149.77 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -149.59 115.85 5.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.632 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.599 HG12 ' H ' ' A' ' 71' ' ' GLU . 96.8 t -120.68 116.98 31.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.05 -67.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -26.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.599 ' H ' HG12 ' A' ' 68' ' ' VAL . 3.9 mt-10 70.6 31.57 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.93 129.85 85.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.724 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.05 -6.09 17.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.5 p -96.61 -39.31 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 ' CE2' ' A' ' 51' ' ' PHE . 38.2 t -80.15 -39.84 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.559 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 6.9 tttt -71.21 -48.83 49.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -40.87 -63.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CD2' ' HG ' ' A' ' 119' ' ' LEU . 8.7 t80 -51.36 -52.07 48.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.41 -42.1 6.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.08 -28.46 71.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.679 ' C ' HD13 ' A' ' 81' ' ' LEU . 1.3 tm? -66.51 -41.24 89.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.679 ' HB3' HD12 ' A' ' 86' ' ' LEU . 2.9 mm? -59.8 -53.66 55.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.56 -16.66 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 28' ' ' TYR . 4.0 mm-40 -73.81 -22.76 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.685 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -145.53 41.53 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 85' ' ' GLY . 54.5 mt -154.87 -45.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.955 ' HA ' HD13 ' A' ' 64' ' ' LEU . 6.9 tt0 -52.85 116.28 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.55 3.39 71.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.964 ' O ' HG23 ' A' ' 62' ' ' VAL . 76.2 mm-40 -87.8 178.06 6.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.425 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 2.0 p -89.31 160.21 42.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.949 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 1.035 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -7.99 19.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.25 -35.95 12.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.97 -32.89 59.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.612 HG22 HD22 ' A' ' 86' ' ' LEU . 14.2 t -70.21 -42.95 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.035 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.3 mm? -61.82 -29.03 69.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.34 -42.28 96.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.753 ' O ' HD21 ' A' ' 123' ' ' LEU . 20.1 t -52.69 107.35 0.82 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.507 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.97 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.451 1.763 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.9 10.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -127.79 32.43 3.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.733 ' HD2' HD11 ' A' ' 10' ' ' LEU . 14.1 p90 -75.86 -14.28 60.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE2' ' CD ' ' A' ' 120' ' ' GLU . 39.8 p90 -89.77 -31.45 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -45.15 130.75 7.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.55 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 70.31 77.52 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.641 ' CE2' HD13 ' A' ' 10' ' ' LEU . 4.1 m-85 -174.78 -47.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.38 -39.68 0.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.674 HD23 ' HE2' ' A' ' 111' ' ' PHE . 1.4 mt -49.47 -36.27 22.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.484 ' HA ' HD11 ' A' ' 116' ' ' LEU . 1.5 tm-20 -52.32 -61.24 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.78 -59.92 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -40.37 -71.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.674 ' HE2' HD23 ' A' ' 107' ' ' LEU . 78.6 m-85 -80.72 120.69 24.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.8 p -51.03 163.84 0.48 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.441 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.69 17.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.46 -51.9 5.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -32.88 70.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 108' ' ' GLU . 13.7 mt -52.13 -48.25 64.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -39.85 -58.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -58.18 -48.56 82.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.578 ' HG ' ' CD2' ' A' ' 78' ' ' PHE . 1.5 mp -46.98 -48.08 21.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.433 ' CD ' ' CE2' ' A' ' 102' ' ' TYR . 31.1 mm-40 -59.64 -46.35 89.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.916 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -41.01 -50.18 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.947 ' O ' HD22 ' A' ' 126' ' ' LEU . . . -41.51 -71.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.753 HD21 ' O ' ' A' ' 97' ' ' VAL . 62.2 tp -40.92 -50.38 3.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 121' ' ' ALA . 7.8 mt -53.11 -44.36 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.537 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 10.8 mmp_? -60.44 -69.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.947 HD22 ' O ' ' A' ' 122' ' ' ALA . 0.6 OUTLIER -39.56 -64.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.552 ' HB3' HD13 ' A' ' 95' ' ' LEU . 50.2 mt-30 -41.65 -43.27 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -61.13 -43.41 98.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.568 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 7.9 mt-30 -74.64 -60.35 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.663 HG22 ' HB1' ' A' ' 55' ' ' ALA . 59.2 t -38.52 -49.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.664 ' HG3' HD11 ' A' ' 95' ' ' LEU . 8.8 mtp180 -46.05 -61.5 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -49.66 -37.22 27.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -66.69 -32.67 74.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.792 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -82.49 -46.97 12.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.478 ' N ' HD12 ' A' ' 134' ' ' LEU . 1.9 p -79.65 48.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 97' ' ' VAL . 2.6 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 173.75 13.95 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.06 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -38.66 -31.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' PRO . 18.2 tp -88.58 -67.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 11.1 tptt -39.43 -32.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -76.39 -56.78 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.56 -46.35 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.621 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 32.7 mt -66.14 -64.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -41.34 -39.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' LEU . 55.1 tp -70.35 -43.54 69.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' LEU . 62.9 t80 -51.02 -47.49 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -62.24 -43.9 97.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 t -68.18 -30.69 69.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' LEU . 14.8 mt -58.77 151.98 50.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.0 139.24 24.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' ARG . 49.6 tttt -34.95 -68.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -34.16 -54.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.865 ' O ' HG12 ' A' ' 24' ' ' VAL . 13.6 mt -65.64 -44.89 85.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 11.9 mtt180 -48.22 -22.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -87.15 -32.5 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.028 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.5 mm100 -76.91 -48.83 17.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.865 HG12 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -44.03 -58.63 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.745 HD22 ' CZ ' ' A' ' 111' ' ' PHE . 77.5 mt -42.57 -44.11 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.43 -49.26 56.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.8 mt-10 -45.71 -55.23 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.751 ' O ' HG23 ' A' ' 32' ' ' VAL . 14.5 m-85 -41.16 -53.7 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.83 -38.15 64.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -68.7 -26.08 65.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.3 43.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 28' ' ' TYR . 75.8 t -133.94 97.79 15.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.04 166.22 29.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.4 Cg_endo -75.01 154.91 42.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.2 Cg_endo -74.96 160.46 40.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.886 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -75.0 162.78 36.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 3.05 5.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.09 66.12 0.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.886 HG11 ' HD2' ' A' ' 36' ' ' PRO . 10.7 p -157.99 134.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.55 115.99 31.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.22 146.71 24.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -105.31 142.51 34.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.456 ' NH2' ' O ' ' A' ' 47' ' ' CYS . 1.9 tpt180 -76.62 128.64 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.658 HG22 ' HD3' ' A' ' 125' ' ' ARG . 63.7 t -95.76 88.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.43 ' HA ' ' NH2' ' A' ' 43' ' ' ARG . 25.4 m-70 -55.18 -36.1 65.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.541 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -42.4 63.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.56 ' H ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -77.95 114.39 16.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.334 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -39.14 -44.58 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.3 p -81.66 159.74 65.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 77.02 3.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -89.25 142.18 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -131.7 134.67 46.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.659 ' CG2' HD21 ' A' ' 126' ' ' LEU . 2.9 p -146.7 161.62 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.577 ' CD2' HG23 ' A' ' 39' ' ' VAL . 86.6 t60 -145.68 131.29 18.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -118.31 134.32 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 63' ' ' ARG . 23.5 m-20 -164.48 166.75 20.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.828 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -136.0 127.79 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.33 101.79 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.13 -82.22 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.79 20.54 0.69 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 23.9 mttt -137.06 150.35 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.876 HG21 HG21 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -97.57 126.59 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.539 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -94.32 114.88 27.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 86' ' ' LEU . 16.7 mt -97.51 141.49 30.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 87.7 m-85 -142.81 128.87 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.477 ' CD1' HG23 ' A' ' 53' ' ' VAL . 85.3 m-85 -125.1 159.31 31.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -155.0 120.51 5.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.506 HG12 ' H ' ' A' ' 71' ' ' GLU . 41.0 t -126.72 114.65 22.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.99 -66.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.768 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -46.76 -26.56 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.506 ' H ' HG12 ' A' ' 68' ' ' VAL . 3.0 mt-10 67.56 53.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -78.7 133.26 62.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.679 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -75.0 -22.81 14.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.534 1.807 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 p -86.01 -25.58 25.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 99.3 t -88.27 -48.44 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 14.2 tttt -63.31 -44.61 94.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.7 -60.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.666 ' CE2' HD11 ' A' ' 82' ' ' LEU . 15.2 t80 -52.49 -51.29 60.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -44.07 -52.18 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.555 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -63.86 -30.6 78.18 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.573 ' HB2' ' CD2' ' A' ' 28' ' ' TYR . 1.5 tp -76.39 -27.62 56.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' CE2' ' A' ' 78' ' ' PHE . 97.2 mt -74.46 -48.1 29.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.674 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -74.67 -18.57 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.584 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 3.2 mm-40 -55.91 -40.66 73.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.517 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -130.17 49.04 0.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 82' ' ' LEU . 79.0 mt -154.62 -44.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 113.33 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.94 28.1 32.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.852 ' O ' HG13 ' A' ' 62' ' ' VAL . 77.6 mm-40 -104.94 -173.91 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.466 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 11.2 p -94.02 158.01 36.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.539 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -10.18 21.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.76 -35.96 12.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -76.93 -35.55 57.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.876 HG21 HG21 ' A' ' 62' ' ' VAL . 40.9 t -72.05 -17.17 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 91' ' ' PRO . 11.1 mt -94.49 -28.59 15.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.57 -6.16 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.89 ' HA ' HG12 ' A' ' 2' ' ' VAL . 3.3 t -83.07 117.28 68.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 174.76 12.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.94 14.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.02 54.09 0.71 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.536 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 3.4 p90 -83.0 -8.67 59.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.976 ' HB2' HD13 ' A' ' 107' ' ' LEU . 42.2 p90 -103.66 -45.24 4.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.528 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 67.2 mtp180 -35.38 121.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' TYR . . . 129.8 -73.49 0.46 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 37.8 m-85 -36.91 -64.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 0.731 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.83 62.76 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.976 HD13 ' HB2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -101.18 -26.51 13.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.02 -43.11 99.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -44.97 -30.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.702 ' CD2' HD11 ' A' ' 25' ' ' LEU . 53.9 m-85 -99.78 -49.58 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.745 ' CZ ' HD22 ' A' ' 25' ' ' LEU . 27.6 m-85 -91.77 118.04 30.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 p -46.85 158.41 0.42 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -8.9 20.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 114' ' ' LEU . 1.6 mm? -91.61 -60.99 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -51.98 -37.22 52.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' ARG . 6.0 mt -47.56 -52.19 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -38.73 -45.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -67.47 -55.69 14.31 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 90.4 mt -42.41 -61.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 123' ' ' LEU . 36.1 mt-10 -46.65 -59.17 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -34.68 -47.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -42.76 -54.26 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' GLU . 6.5 tp -60.73 -48.86 79.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.1 mm? -51.75 -46.01 63.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.658 ' HD3' HG22 ' A' ' 44' ' ' VAL . 8.8 mtt85 -63.48 -57.63 9.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 130' ' ' VAL . 4.7 mt -49.18 -44.82 43.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 21.0 mt-30 -64.87 -25.43 67.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.8 -20.32 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 29.6 mt-30 -92.0 -34.19 14.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 126' ' ' LEU . 75.3 t -59.97 -54.97 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -43.65 -28.71 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' SER . 22.6 mmmt -70.61 -41.54 72.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.828 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -58.27 -45.43 87.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 134' ' ' LEU . 7.3 mp -47.57 -39.18 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.0 t -116.57 26.72 9.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' LYS . 5.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.553 HG13 HD12 ' A' ' 6' ' ' LEU . 45.7 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.5 Cg_endo -74.96 174.45 12.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.96 -59.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -40.73 -29.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.553 HD12 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -87.07 -66.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -43.74 -30.38 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -55.92 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.715 ' HB1' ' OH ' ' A' ' 28' ' ' TYR . . . -57.59 -51.45 69.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.782 HD11 ' HD2' ' A' ' 101' ' ' PHE . 72.1 mt -54.75 -53.49 54.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.79 -51.84 68.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 16' ' ' LEU . 43.4 tp -55.23 -48.52 73.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.698 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 45.8 t80 -54.4 -58.78 6.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -60.41 -19.07 54.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.1 t -86.7 -30.89 21.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD13 HG21 ' A' ' 24' ' ' VAL . 28.7 mt -70.13 158.52 87.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.59 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -74.98 136.27 20.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' PRO . 2.1 ttmm -36.13 -69.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 6.8 pt-20 -35.36 -44.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.59 HD12 ' CG ' ' A' ' 17' ' ' PRO . 13.2 mt -72.74 -51.31 19.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' LYS . 14.5 mtt180 -37.17 -34.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -59.96 -54.16 49.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.2 pt20 -65.71 -39.47 91.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.475 HG21 HD13 ' A' ' 16' ' ' LEU . 84.0 t -48.29 -62.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.698 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 24.1 mt -45.62 -39.7 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 22' ' ' SER . 3.0 mm? -68.25 -51.56 43.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.8 mt-10 -47.47 -50.48 23.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.715 ' OH ' ' HB1' ' A' ' 9' ' ' ALA . 3.1 m-85 -43.83 -55.49 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -55.72 -32.8 63.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -67.57 -25.23 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.32 39.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.3 100.63 35.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.81 42.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 155.58 43.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 160.24 40.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 147.29 33.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.76 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.03 58.48 4.93 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.18 39.26 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 69.9 t -143.96 135.12 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.423 0.719 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -95.57 123.16 38.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 65' ' ' TYR . 2.3 mp -109.66 152.07 26.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.58 124.94 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 23.2 ttp180 -63.74 147.77 50.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.441 HG22 ' HD3' ' A' ' 125' ' ' ARG . 92.9 t -98.89 91.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -24.59 64.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.632 ' HG2' ' HB2' ' A' ' 121' ' ' ALA . 1.0 OUTLIER -60.61 -29.38 69.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.435 ' C ' ' CG ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -102.18 -16.57 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.435 ' CG ' ' C ' ' A' ' 47' ' ' CYS . 1.5 mt-30 76.64 -59.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.0 p -41.37 160.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 63.48 6.04 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -108.65 105.11 14.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 43' ' ' ARG . 2.1 m-85 -105.13 132.47 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.847 ' HB ' HD21 ' A' ' 126' ' ' LEU . 30.5 m -128.57 157.59 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.405 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 83.1 t60 -149.58 115.52 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 126' ' ' LEU . . . -105.77 130.29 53.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 22.8 m-20 -156.88 164.63 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.83 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -135.73 123.73 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.91 111.55 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.61 -82.54 1.58 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.93 22.38 0.6 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 57' ' ' VAL . 5.6 pttt -136.98 152.32 50.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 89' ' ' GLU . 59.0 t -91.85 146.7 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.579 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 2.3 mmt180 -119.25 102.55 8.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' A' ' 86' ' ' LEU . 9.0 mt -81.71 138.04 35.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 66.7 m-85 -141.18 120.02 12.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 53' ' ' VAL . 92.7 m-85 -124.06 138.81 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -132.07 111.61 11.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.574 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.499 HG11 ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -138.57 111.73 8.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.01 -65.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' PRO . 35.4 t70 -37.42 -31.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' PRO . 2.8 mt-10 69.68 30.73 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -52.4 124.14 31.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.603 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.05 -8.19 19.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -96.46 -25.17 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.495 HG22 HH22 ' A' ' 115' ' ' ARG . 24.2 t -94.1 -38.34 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.587 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 2.7 tttt -72.08 -40.9 67.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.06 -51.21 1.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.535 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.5 t80 -64.04 -53.69 45.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 78' ' ' PHE . . . -40.12 -49.42 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -63.31 -34.74 90.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.674 ' O ' HD12 ' A' ' 81' ' ' LEU . 2.1 tp -63.65 -37.21 86.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.624 ' CA ' HD12 ' A' ' 86' ' ' LEU . 3.2 mm? -69.16 -56.95 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.476 ' HG3' ' CB ' ' A' ' 87' ' ' GLU . 58.8 ttt-85 -63.82 -24.33 67.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.563 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -48.56 -45.99 38.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.647 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -143.27 61.07 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 85' ' ' GLY . 56.1 mt -156.1 -45.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.77 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -58.7 125.17 22.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.02 -21.87 34.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.803 ' O ' HG23 ' A' ' 62' ' ' VAL . 18.5 mm-40 -71.2 173.01 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.983 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.7 m -80.88 158.9 69.87 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 94' ' ' VAL . 18.5 Cg_endo -75.01 -9.7 20.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.77 -35.45 17.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.99 -32.21 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.983 HG13 ' O ' ' A' ' 90' ' ' SER . 13.0 m -68.05 -47.95 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' N ' HG23 ' A' ' 94' ' ' VAL . 2.7 mt -59.22 -34.16 71.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -58.13 -23.3 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.61 HG21 HD21 ' A' ' 86' ' ' LEU . 50.9 t -69.72 113.43 17.24 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 167.2 27.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.472 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -74.97 -2.25 12.28 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.81 24.84 5.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.782 ' HD2' HD11 ' A' ' 10' ' ' LEU . 21.5 p90 -63.62 -28.93 70.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.888 ' HB2' HD13 ' A' ' 107' ' ' LEU . 37.6 p90 -78.85 -41.04 31.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -48.94 127.46 14.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.55 -46.18 1.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.568 1.168 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.626 ' CE2' HD13 ' A' ' 10' ' ' LEU . 82.4 m-85 -78.17 50.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 105' ' ' TYR . . . 30.95 54.32 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.888 HD13 ' HB2' ' A' ' 102' ' ' TYR . 3.5 mt -101.13 -40.73 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -63.41 -33.08 74.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.53 -24.1 2.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -105.01 -49.05 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 67.4 m-85 -87.31 125.09 34.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 p -57.55 162.86 4.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.443 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.19 19.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.14 -48.98 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.495 HH22 HG22 ' A' ' 75' ' ' VAL . 14.0 mtp85 -62.31 -40.63 96.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.655 HD22 ' CE2' ' A' ' 102' ' ' TYR . 16.9 mt -53.46 -49.06 68.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -48.44 -32.4 7.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.535 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -86.23 -39.39 7.91 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.526 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 15.1 mt -59.55 -57.64 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.49 ' CD ' ' CE1' ' A' ' 102' ' ' TYR . 28.1 mm-40 -44.79 -43.91 8.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.632 ' HB2' ' HG2' ' A' ' 46' ' ' GLU . . . -42.33 -39.48 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.82 -60.69 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 97' ' ' VAL . 27.1 tp -54.86 -52.94 61.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 99' ' ' PRO . 35.7 mt -50.04 -50.64 46.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' A' ' 44' ' ' VAL . 23.3 mtt-85 -60.57 -65.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.847 HD21 ' HB ' ' A' ' 53' ' ' VAL . 16.4 mt -44.33 -52.07 7.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 37.5 mt-30 -59.27 -33.76 71.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -69.29 -16.5 63.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -95.43 -23.53 17.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.571 HG13 ' HB3' ' A' ' 91' ' ' PRO . 94.3 t -76.75 -43.19 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.728 ' O ' HG22 ' A' ' 135' ' ' THR . 11.4 mtt180 -45.75 -25.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.455 ' HA ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -86.47 -42.49 13.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.83 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -66.14 -33.38 75.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.795 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -69.23 -48.9 60.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.767 ' N ' HD12 ' A' ' 134' ' ' LEU . 5.5 t -79.45 -4.99 53.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 21.5 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 174.82 12.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.2 Cg_endo -75.06 -59.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -36.07 -35.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.551 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -87.01 -65.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.17 -31.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -57.39 13.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.653 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -51.9 -66.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.863 HD13 ' CE2' ' A' ' 105' ' ' TYR . 93.5 mt -42.28 -64.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -43.36 -49.1 7.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 16' ' ' LEU . 12.1 tp -62.21 -35.58 79.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' LEU . 5.8 t80 -59.69 -64.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -57.89 -18.71 24.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 t -85.34 -38.14 19.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 16' ' ' LEU . 28.8 mt -70.23 159.04 86.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -74.98 136.23 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' GLU . 7.7 tttp -34.83 -68.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -33.88 -57.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ARG . 14.7 mt -58.06 -57.41 12.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LEU . 13.7 mtt180 -36.58 -39.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -56.69 -55.25 36.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LEU . 4.4 pt20 -66.68 -37.94 85.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.0 t -49.47 -57.66 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.538 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 39.6 mt -50.36 -42.04 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 73' ' ' PRO . 6.7 mt -61.42 -37.41 83.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.63 -44.97 80.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.5 m-85 -53.49 -24.24 12.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.59 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -89.02 -27.07 21.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.15 -19.49 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.59 -32.4 18.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 28' ' ' TYR . 33.1 t -44.66 103.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.84 40.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.5 Cg_endo -74.95 151.11 39.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.432 1.754 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.3 Cg_endo -75.04 151.79 39.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.666 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 154.35 42.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.776 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.97 125.36 9.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.27 -21.58 21.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.666 HG21 ' HG2' ' A' ' 36' ' ' PRO . 5.9 t -76.5 133.53 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -99.13 133.19 43.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 65' ' ' TYR . 2.7 mp -117.97 147.08 43.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 2.1 tt0 -100.62 145.35 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 16.5 ttp180 -80.96 146.58 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.536 HG22 ' HD3' ' A' ' 125' ' ' ARG . 64.9 t -100.58 90.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -53.87 -33.09 55.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.679 ' HG2' ' HB2' ' A' ' 121' ' ' ALA . 1.8 tp10 -54.65 -24.84 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.1 t -113.79 121.12 43.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -50.96 -48.46 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.9 p -58.89 155.84 29.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.79 4.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.665 ' HE2' ' HB2' ' A' ' 122' ' ' ALA . 3.9 t80 -97.24 114.26 25.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 36.8 m-85 -104.08 144.57 31.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.58 ' CG2' HD21 ' A' ' 126' ' ' LEU . 2.1 m -144.38 163.83 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.433 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 63.5 t60 -165.35 123.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.648 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.696 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -116.47 138.84 51.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 63' ' ' ARG . 15.6 m-20 -164.56 171.76 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.729 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -135.98 122.01 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.66 108.93 19.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.07 -82.29 1.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.44 20.97 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.1 mtmm -136.24 152.31 50.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 89' ' ' GLU . 5.6 t -86.52 155.22 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.548 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 10.7 mmt180 -132.05 114.84 15.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.638 HD22 ' CD1' ' A' ' 126' ' ' LEU . 63.3 mt -98.35 151.34 20.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 76.3 m-85 -153.85 120.35 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.403 ' HD1' HG12 ' A' ' 53' ' ' VAL . 87.6 m-85 -126.22 135.95 52.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -132.16 118.6 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.61 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.589 HG11 ' HG3' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -138.6 116.34 9.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.469 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.03 -49.69 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.5 t0 -49.66 -17.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 13.5 pt-20 49.16 40.09 16.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.817 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -62.97 127.79 91.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.1 Cg_endo -74.98 -17.41 19.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.5 t -97.26 -16.83 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.817 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 99.7 t -94.37 -48.53 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -63.42 -43.46 97.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -37.1 -67.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.839 ' CD1' HD13 ' A' ' 119' ' ' LEU . 5.2 t80 -48.09 -56.6 7.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 82' ' ' LEU . . . -47.64 -56.22 7.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.53 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -53.31 -33.1 45.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 5.0 tt -59.53 -53.03 62.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 78' ' ' PHE . 2.7 mm? -52.17 -55.18 22.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.62 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -67.7 -12.12 59.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.653 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -67.29 -37.0 82.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.69 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -146.28 54.67 0.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 85' ' ' GLY . 54.2 mt -156.4 -47.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.488 ' HB2' ' CG ' ' A' ' 83' ' ' ARG . 1.3 tm-20 -55.08 115.62 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.24 -22.36 39.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.983 ' O ' HG23 ' A' ' 62' ' ' VAL . 39.2 mm-40 -59.92 -172.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.502 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 1.4 m -87.43 161.18 46.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.654 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -14.99 20.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -96.26 -36.49 10.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.64 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.7 -56.7 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.741 HD11 ' HG3' ' A' ' 131' ' ' ARG . 4.4 mm? -52.76 -33.29 47.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.67 -13.52 15.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 63.0 t -81.16 122.45 81.5 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.84 17.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.657 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.1 Cg_endo -75.04 -10.34 21.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.37 58.96 0.68 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.648 ' HD1' HD11 ' A' ' 10' ' ' LEU . 8.8 p90 -88.18 -1.07 57.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.964 ' HB2' HD13 ' A' ' 107' ' ' LEU . 41.4 p90 -112.28 -45.19 3.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.568 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 50.7 mtm180 -41.41 105.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.81 -70.03 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.863 ' CE2' HD13 ' A' ' 10' ' ' LEU . 82.9 m-85 -37.65 -68.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 156.81 58.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.964 HD13 ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -101.04 -24.66 14.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.467 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 13.2 mt-10 -65.08 -49.94 68.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -40.67 -28.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.419 ' N ' ' C ' ' A' ' 108' ' ' GLU . 17.8 m-85 -103.88 -45.95 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.538 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 28.1 m-85 -98.96 107.1 19.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.0 p -39.94 159.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.99 18.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.0 -63.06 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -54.03 -33.23 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.528 HD22 ' CE2' ' A' ' 102' ' ' TYR . 10.3 mt -49.56 -50.65 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.17 -56.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -62.94 -48.25 82.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.839 HD13 ' CD1' ' A' ' 78' ' ' PHE . 12.7 mt -41.72 -44.73 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 121' ' ' ALA . 10.3 mt-10 -60.32 -51.94 67.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.679 ' HB2' ' HG2' ' A' ' 46' ' ' GLU . . . -34.71 -38.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.665 ' HB2' ' HE2' ' A' ' 51' ' ' PHE . . . -51.17 -58.85 5.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.481 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.7 OUTLIER -66.06 -55.9 14.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' A' ' 99' ' ' PRO . 2.7 mm? -40.28 -43.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.536 ' HD3' HG22 ' A' ' 44' ' ' VAL . 5.2 mtt-85 -71.7 -51.07 24.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.638 ' CD1' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -45.32 -51.33 11.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.661 ' HB3' HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -59.45 -29.71 67.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.36 -15.33 55.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 3.5 mm-40 -92.19 -37.59 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.696 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 53.2 t -71.57 -49.4 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.741 ' HG3' HD11 ' A' ' 95' ' ' LEU . 6.3 mtp180 -42.9 -30.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.768 ' O ' HG22 ' A' ' 135' ' ' THR . 8.9 mmmm -67.78 -45.4 74.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.729 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -54.02 -45.61 71.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 131' ' ' ARG . 7.9 mp -46.48 -32.74 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 132' ' ' LYS . 8.9 t -102.66 -20.33 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.804 ' CG1' HD23 ' A' ' 6' ' ' LEU . 45.4 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.518 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.94 173.02 15.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.462 1.77 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.05 -55.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -37.66 -45.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.804 HD23 ' CG1' ' A' ' 2' ' ' VAL . 25.1 tp -72.82 -66.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' LEU . 5.3 tptt -38.76 -30.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -80.54 -52.73 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -53.74 -38.77 64.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 69.3 mt -73.35 -61.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.9 -48.49 51.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' LEU . 48.2 tp -55.48 -46.65 76.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 14.7 t80 -52.86 -58.98 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -56.22 -21.23 22.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -92.19 -19.81 21.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 HG21 ' A' ' 24' ' ' VAL . 30.4 mt -73.01 157.98 87.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.562 ' HG2' HD13 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.01 137.26 21.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 17' ' ' PRO . 17.2 tttt -34.53 -68.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.801 ' HG2' HD12 ' A' ' 20' ' ' LEU . 9.5 tt0 -33.95 -49.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.801 HD12 ' HG2' ' A' ' 19' ' ' GLU . 9.8 mp -71.98 -47.5 51.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' LYS . 25.5 mtt180 -37.54 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.9 -42.63 10.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.032 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.6 mm-40 -63.13 -49.65 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.862 HG21 HD13 ' A' ' 16' ' ' LEU . 24.1 t -48.94 -60.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HG ' ' CE1' ' A' ' 13' ' ' PHE . 64.6 mt -42.23 -44.66 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -57.0 -61.37 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' ALA . 2.7 mt-10 -44.07 -61.55 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE1' ' HG3' ' A' ' 84' ' ' GLU . 5.8 m-30 -37.31 -51.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HB1' ' CG ' ' A' ' 76' ' ' LYS . . . -55.72 -46.58 77.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -67.95 -15.63 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -31.59 24.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.621 HG22 ' HA2' ' A' ' 80' ' ' GLY . 53.7 t -58.39 110.58 2.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HD3' ' NE ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.02 165.45 31.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.4 42.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.01 143.3 28.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.574 1.829 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.62 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.98 159.6 41.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 128.62 11.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.03 -28.68 10.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.62 HG21 ' HG2' ' A' ' 36' ' ' PRO . 18.7 t -67.25 123.73 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -94.8 112.71 24.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.07 142.42 29.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 1.6 tp10 -99.27 144.77 28.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 8.5 ttp-105 -80.34 145.31 32.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 47' ' ' CYS . 89.8 t -103.59 93.46 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -61.93 -33.73 74.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.6 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -50.9 -39.64 54.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.46 ' H ' HG12 ' A' ' 44' ' ' VAL . 2.9 t -88.03 150.24 23.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.49 29.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.552 HG21 ' NH2' ' A' ' 115' ' ' ARG . 47.2 p -136.92 155.66 76.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.604 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.99 60.77 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD1' HG11 ' A' ' 75' ' ' VAL . 11.4 t80 -90.81 153.34 20.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' A' ' 50' ' ' PRO . 14.8 m-85 -150.89 134.74 16.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 1.09 ' CG2' HD21 ' A' ' 126' ' ' LEU . 9.3 p -135.22 154.76 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 1.9 t-160 -151.59 125.82 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -115.59 140.65 48.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -148.61 167.33 25.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 59.4 t -113.97 100.5 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -101.45 102.88 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.3 -78.43 2.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.64 25.47 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 14.0 mttt -133.59 176.99 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 89' ' ' GLU . 62.7 t -109.84 114.18 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 22.1 mmt180 -86.02 117.19 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.651 HD11 ' HB2' ' A' ' 86' ' ' LEU . 28.9 mt -97.2 141.44 30.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 63' ' ' ARG . 31.3 m-85 -146.96 120.15 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.449 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 85.7 m-85 -119.75 161.15 21.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -146.02 115.96 7.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.912 HG21 ' HD2' ' A' ' 76' ' ' LYS . 78.9 t -124.46 99.9 35.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.99 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.96 -14.12 3.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' CA ' HG12 ' A' ' 68' ' ' VAL . 1.8 mt-10 73.16 18.2 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' LYS . . . -50.34 120.1 11.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 76' ' ' LYS . 18.4 Cg_endo -74.99 -50.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.5 p -43.9 -30.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.615 HG11 ' CD1' ' A' ' 51' ' ' PHE . 81.5 t -93.59 -32.01 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.912 ' HD2' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -63.1 -60.56 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 25' ' ' LEU . . . -38.75 -63.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 4.5 t80 -46.06 -59.24 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.857 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.69 -40.27 12.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.621 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -72.77 -25.85 72.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 78' ' ' PHE . 4.5 tp -75.85 -46.97 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -59.43 -36.27 75.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -81.24 -11.08 59.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.547 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 4.6 mm-40 -95.36 -2.85 48.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.487 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -130.68 -33.89 0.46 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.045 HD12 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -94.58 -65.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.624 ' C ' ' O ' ' A' ' 86' ' ' LEU . 2.3 tm-20 -16.92 112.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.38 14.27 64.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 62' ' ' VAL . 35.9 mm-40 -98.96 165.28 11.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 110.358 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 p -78.65 161.33 69.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.908 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -7.59 19.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -35.21 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -75.12 -30.72 60.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.045 HG22 HD12 ' A' ' 86' ' ' LEU . 12.1 t -71.13 -41.63 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.908 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.4 mm? -66.59 -32.63 74.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.21 -8.34 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 93' ' ' ALA . 59.0 t -86.86 120.26 71.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 173.0 15.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.603 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.1 Cg_endo -74.99 0.35 9.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.799 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -140.46 48.78 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 12.4 p90 -69.84 -28.96 66.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.927 ' HB2' HD23 ' A' ' 107' ' ' LEU . 51.7 p90 -77.79 -25.65 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -39.53 124.18 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 75.45 77.45 0.71 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.4 m-85 -172.16 -51.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 161.47 -44.24 0.39 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.927 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -43.77 -47.27 7.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.803 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -51.41 14.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -71.09 -59.34 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.47 -65.26 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -78.51 141.1 38.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -61.9 160.46 28.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.71 17.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.08 -55.51 3.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.552 ' NH2' HG21 ' A' ' 49' ' ' THR . 1.5 ttt180 -62.88 -37.19 85.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.8 mt -51.84 -47.0 64.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.9 mtt-85 -46.07 -42.69 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -71.47 -54.58 8.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.588 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -44.3 -40.79 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.83 -43.48 98.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 122' ' ' ALA . . . -54.29 -48.46 71.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 121' ' ' ALA . . . -38.65 -50.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.478 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.1 tm? -65.7 -63.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 99' ' ' PRO . 12.3 mt -40.67 -29.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 3.5 mmp_? -75.48 -60.34 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.09 HD21 ' CG2' ' A' ' 53' ' ' VAL . 16.1 mt -46.28 -55.12 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.657 ' HB3' HD13 ' A' ' 95' ' ' LEU . 14.7 mt-30 -45.56 -32.67 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -74.26 -42.76 59.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 126' ' ' LEU . 53.7 mt-30 -65.66 -56.2 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.642 ' HB ' HD21 ' A' ' 95' ' ' LEU . 13.3 t -49.93 -61.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.743 ' HG3' HD11 ' A' ' 95' ' ' LEU . 1.6 mtt-85 -39.43 -30.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 133' ' ' ALA . 1.0 OUTLIER -68.27 -53.14 26.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 132' ' ' LYS . . . -47.52 -41.6 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 18.4 mt -46.46 -44.18 17.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 136' ' ' SER . 9.8 t -114.85 26.89 9.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 135' ' ' THR . 2.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 5.0 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.96 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 8' ' ' GLN . 18.3 Cg_endo -75.03 -49.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -50.13 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.496 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -67.81 -67.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -40.52 -31.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 4' ' ' PRO . 2.7 mt-30 -67.56 -59.24 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.78 -49.64 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.617 HD11 ' HD1' ' A' ' 101' ' ' PHE . 97.4 mt -63.03 -70.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -41.34 -43.33 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' LEU . 20.5 tp -65.57 -45.3 83.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 21' ' ' ARG . 40.9 t80 -51.46 -57.9 7.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -59.7 -15.11 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -8.51 20.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.992 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.518 HD13 HG21 ' A' ' 24' ' ' VAL . 28.3 mt -83.4 160.74 58.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.72 ' HG2' HD22 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -75.05 139.05 23.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -38.1 -70.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.601 ' HG3' HD13 ' A' ' 20' ' ' LEU . 6.8 pt-20 -34.05 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.72 HD22 ' HG2' ' A' ' 17' ' ' PRO . 9.2 mp -85.05 -56.57 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -37.65 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.39 -44.9 9.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.52 ' OE1' HD12 ' A' ' 20' ' ' LEU . 3.3 pt20 -65.55 -39.44 91.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.235 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG21 HD13 ' A' ' 16' ' ' LEU . 50.0 t -54.91 -57.85 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 HD21 ' A' ' 107' ' ' LEU . 77.1 mt -42.21 -36.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 26' ' ' LEU . 1.7 mm? -69.06 -54.72 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.7 OUTLIER -48.87 -51.62 28.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.592 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.8 m-30 -40.17 -55.66 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.656 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -57.96 -36.88 73.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -65.6 -25.59 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.2 32.62 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.674 HG22 ' HD3' ' A' ' 83' ' ' ARG . 72.0 t -125.85 98.02 34.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.25 40.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.2 Cg_endo -75.03 155.43 42.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.3 Cg_endo -75.01 152.85 41.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.456 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.98 161.01 39.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.946 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.62 11.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.39 -41.5 2.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.456 HG21 ' HG2' ' A' ' 36' ' ' PRO . 54.2 t -55.65 123.57 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.733 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.52 128.81 36.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.535 HD23 ' C ' ' A' ' 53' ' ' VAL . 2.0 mp -116.1 149.11 39.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.26 138.54 35.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -74.65 134.87 41.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.638 HG22 ' HD3' ' A' ' 125' ' ' ARG . 96.9 t -94.87 91.43 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -55.77 -49.39 73.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.14 -35.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 23.9 t -89.99 144.2 26.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -65.31 -59.07 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.7 p -65.84 160.7 60.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.94 74.9 3.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.454 ' O ' HG23 ' A' ' 44' ' ' VAL . 5.3 t80 -89.19 106.81 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 23.1 m-85 -103.92 134.32 47.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.535 ' C ' HD23 ' A' ' 41' ' ' LEU . 16.8 m -139.58 162.29 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -148.95 129.13 13.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.816 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -118.14 139.53 51.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 63' ' ' ARG . 17.8 m-20 -165.34 167.03 18.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.6 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.8 OUTLIER -135.75 129.2 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -125.3 101.22 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.0 -81.41 0.56 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.32 21.47 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 13.9 mttm -139.43 151.02 45.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 0.724 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -98.75 127.78 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 4.1 mmm180 -91.51 126.25 36.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.792 HD13 ' HA ' ' A' ' 87' ' ' GLU . 1.3 mp -99.44 149.05 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 92.5 m-85 -152.59 124.88 8.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CD1' HG12 ' A' ' 53' ' ' VAL . 98.4 m-85 -130.22 151.72 50.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -140.31 115.15 9.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.659 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.22 109.16 33.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -69.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.51 -30.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 69.05 56.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -83.53 129.77 58.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -75.0 -7.89 19.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -96.82 -25.73 15.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 20.6 t -92.83 -38.15 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.656 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 4.9 tttt -67.97 -38.67 83.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.81 -57.79 4.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.584 ' CG ' HD13 ' A' ' 119' ' ' LEU . 1.6 t80 -55.09 -49.4 71.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.91 -45.67 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.16 -28.84 73.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 78' ' ' PHE . 11.5 tp -68.16 -35.0 77.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.4 mm? -68.53 -52.73 28.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.674 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -72.9 -16.82 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.582 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 2.7 mm-40 -49.77 -54.11 21.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.769 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -126.97 51.66 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 85' ' ' GLY . 43.2 mt -151.64 -42.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.792 ' HA ' HD13 ' A' ' 64' ' ' LEU . 18.0 tp10 -46.32 110.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.31 34.73 35.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.645 ' O ' HG13 ' A' ' 62' ' ' VAL . 72.6 mm-40 -108.17 178.49 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 p -77.27 157.15 81.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.063 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.722 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.02 -14.54 21.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.791 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.57 -38.15 11.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.46 -26.1 65.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 62' ' ' VAL . 2.9 t -78.0 -42.32 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 91' ' ' PRO . 3.2 mm? -64.98 -34.95 79.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.91 -27.19 63.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.553 ' O ' HD21 ' A' ' 123' ' ' LEU . 40.1 t -64.47 111.97 6.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.444 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.0 170.33 20.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.803 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -1.88 11.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.55 43.62 1.27 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.617 ' HD1' HD11 ' A' ' 10' ' ' LEU . 28.6 p90 -80.14 -3.87 50.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.489 ' HB2' HD13 ' A' ' 107' ' ' LEU . 35.3 p90 -108.2 -37.13 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.425 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 42.5 mtt180 -49.98 128.11 17.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 105' ' ' TYR . . . 118.17 -71.94 0.3 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.593 ' CE2' HD13 ' A' ' 10' ' ' LEU . 65.5 m-85 -35.36 -85.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 170.65 51.18 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 102' ' ' TYR . 4.2 mt -101.45 -46.04 5.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -55.13 -37.7 67.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.4 -31.03 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 21' ' ' ARG . 26.5 m-85 -96.41 -43.14 7.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.89 ' HB2' HD21 ' A' ' 116' ' ' LEU . 49.2 m-85 -104.08 123.19 46.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.892 ' O ' HD23 ' A' ' 116' ' ' LEU . 1.4 p -46.68 159.74 0.35 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.38 16.9 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -76.58 -56.54 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -51.12 -41.7 60.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.892 HD23 ' O ' ' A' ' 112' ' ' THR . 4.1 mm? -56.87 -50.72 71.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -42.73 -27.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -90.9 -41.57 5.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.584 HD13 ' CG ' ' A' ' 78' ' ' PHE . 15.4 mt -59.0 -48.4 81.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' CD ' ' CE1' ' A' ' 102' ' ' TYR . 32.8 mm-40 -48.64 -37.08 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 118' ' ' GLY . . . -47.95 -37.76 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.43 ' C ' HD12 ' A' ' 126' ' ' LEU . . . -51.42 -65.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.553 HD21 ' O ' ' A' ' 97' ' ' VAL . 13.5 tp -48.59 -56.04 9.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.68 -48.49 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.638 ' HD3' HG22 ' A' ' 44' ' ' VAL . 13.1 mtt-85 -58.93 -62.96 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.636 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 1.5 mt -47.19 -48.77 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 15.2 mt-30 -50.37 -27.26 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -81.81 -31.72 31.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.816 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 10.0 mt-30 -76.23 -29.77 57.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.581 ' HB ' HD21 ' A' ' 95' ' ' LEU . 86.1 t -76.39 -60.8 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.707 ' HG3' HD11 ' A' ' 95' ' ' LEU . 8.6 mtt180 -41.01 -32.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.709 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -66.19 -46.9 75.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.6 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -51.77 -42.35 62.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 91' ' ' PRO . 7.0 mp -52.24 -40.51 61.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 132' ' ' LYS . 13.9 t -91.18 -15.77 28.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' LYS . 4.9 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.504 HG12 ' HD2' ' A' ' 3' ' ' PRO . 2.9 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.504 ' HD2' HG12 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.93 176.61 9.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 3' ' ' PRO . 18.3 Cg_endo -75.04 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 4.3 mmmt -39.34 -50.62 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.37 -69.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -41.28 -29.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' PRO . 2.4 mt-30 -75.18 -63.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.63 -31.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.613 HD11 ' HD2' ' A' ' 101' ' ' PHE . 78.8 mt -80.35 -53.19 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.15 -47.72 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.5 -41.34 76.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 7.6 t80 -57.59 -63.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -50.98 -27.08 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.24 -38.25 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 mt -69.87 157.57 89.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.5 Cg_endo -74.94 135.11 18.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 17' ' ' PRO . 2.4 tttm -34.09 -68.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.1 pm0 -35.21 -56.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.505 HD12 ' CG ' ' A' ' 17' ' ' PRO . 16.8 mt -60.83 -53.74 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 8.8 mtt180 -39.54 -58.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.28 -42.43 30.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.3 mm-40 -68.95 -35.1 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.527 HG13 ' CE1' ' A' ' 28' ' ' TYR . 3.1 t -63.15 -65.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 38.4 mt -39.06 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -68.36 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -52.01 -32.35 33.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.553 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 m-85 -57.8 -33.53 68.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.709 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -82.97 -38.57 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.73 -17.65 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -86.11 -25.05 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 28' ' ' TYR . 72.4 t -69.34 113.33 15.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.3 27.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.95 41.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -75.03 139.65 24.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.807 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.606 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.99 163.31 35.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.31 16.49 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.1 -29.58 10.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.947 HG13 ' CD2' ' A' ' 54' ' ' HIS . 69.2 t -65.5 120.71 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 4.1 tt0 -92.81 112.83 24.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 54' ' ' HIS . 1.2 mp -97.52 140.12 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.8 132.03 37.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 47' ' ' CYS . 2.2 tpt180 -68.06 128.48 36.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 47' ' ' CYS . 72.8 t -94.56 88.24 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.415 ' HA ' ' NH2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -56.75 -45.12 82.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.568 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.83 -48.12 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.577 ' H ' HG12 ' A' ' 44' ' ' VAL . 5.8 t -81.88 113.12 19.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -38.91 -34.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -84.58 152.39 60.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.377 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 75.23 3.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -96.24 107.41 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -98.07 138.37 35.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.628 ' HB ' HD21 ' A' ' 126' ' ' LEU . 33.8 m -136.23 148.57 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.947 ' CD2' HG13 ' A' ' 39' ' ' VAL . 83.1 t60 -134.85 105.66 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.89 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -103.25 132.8 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 63' ' ' ARG . 10.5 m-20 -157.17 165.85 34.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.541 HG12 ' CB ' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -134.26 126.1 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.36 102.32 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.21 -78.53 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.66 24.29 0.3 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.7 mttt -141.54 142.71 33.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.902 HG21 HG21 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -92.77 122.9 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -86.37 120.89 28.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 83' ' ' ARG . 77.3 mt -91.14 138.62 31.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 64.2 m-85 -146.66 121.53 9.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.77 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 83.0 m-85 -125.0 145.68 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -134.25 120.41 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.497 HG12 ' H ' ' A' ' 71' ' ' GLU . 46.3 t -129.51 111.72 17.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -61.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -50.7 -22.15 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.497 ' H ' HG12 ' A' ' 68' ' ' VAL . 18.6 mt-10 66.69 44.27 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -73.16 125.43 90.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.73 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.4 Cg_endo -74.96 -5.89 17.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.5 p -93.03 -44.92 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' A' ' 119' ' ' LEU . 40.8 t -73.51 -50.97 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.709 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -58.62 -43.36 89.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.5 -67.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.878 ' O ' HD22 ' A' ' 82' ' ' LEU . 3.2 t80 -41.6 -55.69 2.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.77 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -43.09 -54.98 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 32' ' ' VAL . . . -53.15 -38.42 56.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' GLU . 5.4 tt -55.77 -61.72 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.878 HD22 ' O ' ' A' ' 78' ' ' PHE . 1.4 mm? -39.7 -65.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.468 ' HA ' HD12 ' A' ' 64' ' ' LEU . 15.2 ttt180 -51.87 -32.96 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 33.7 mm-40 -74.56 -3.26 29.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.432 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -124.37 -41.97 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.977 HD12 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -91.41 -69.67 0.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 0.748 . . . . 0.0 109.269 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.536 ' O ' ' O ' ' A' ' 86' ' ' LEU . 1.1 tt0 45.09 104.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.52 36.91 1.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.77 ' O ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -75.96 -169.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 94' ' ' VAL . 12.8 p -89.27 157.01 48.28 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.98 -9.09 20.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.32 -34.14 14.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.962 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -77.73 -32.34 52.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.977 HG22 HD12 ' A' ' 86' ' ' LEU . 70.6 t -75.98 -20.52 15.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.762 HD21 ' O ' ' A' ' 127' ' ' GLN . 29.2 mt -93.44 -26.74 17.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -84.21 8.37 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 93' ' ' ALA . 47.2 t -94.89 120.44 64.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.32 40.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.27 10.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.9 20.64 10.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.613 ' HD2' HD11 ' A' ' 10' ' ' LEU . 25.3 p90 -61.41 -20.46 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.676 ' HB2' HD13 ' A' ' 107' ' ' LEU . 32.0 p90 -89.64 -2.73 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -77.49 161.58 27.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.544 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 59.42 66.86 2.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 21.9 m-85 -167.52 -94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 174.55 48.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -101.62 -54.12 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.47 -40.93 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.73 -40.27 27.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -91.44 -38.23 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 35.1 m-85 -101.47 104.78 15.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 40.0 p -40.83 161.63 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.417 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.36 20.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.789 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.28 -64.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -52.3 -29.47 23.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' ARG . 5.8 mt -54.79 -50.51 68.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -38.16 -43.5 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.598 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -66.51 -58.97 7.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -41.04 -59.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -48.79 -43.48 38.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 118' ' ' GLY . . . -50.68 -39.85 52.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -50.88 -63.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.537 HD21 HG12 ' A' ' 97' ' ' VAL . 11.9 tp -48.96 -50.84 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 121' ' ' ALA . 12.2 mt -53.8 -54.99 30.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -54.56 17.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.815 ' O ' HG23 ' A' ' 130' ' ' VAL . 1.7 mt -57.15 -47.91 80.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.762 ' O ' HD21 ' A' ' 95' ' ' LEU . 7.0 mt-30 -48.29 -30.42 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.53 -29.53 27.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.89 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 96.1 mt-30 -79.45 -9.16 59.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 126' ' ' LEU . 42.1 t -85.5 -62.26 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 7.1 mtt85 -48.51 -38.79 21.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.506 ' C ' ' CD ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -65.31 -42.22 93.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.541 ' CB ' HG12 ' A' ' 57' ' ' VAL . . . -57.08 -30.83 64.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.14 -44.4 84.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 t -98.21 17.04 19.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.54 HG13 ' HD2' ' A' ' 3' ' ' PRO . 47.0 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.54 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 173.9 13.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.552 1.817 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.01 -55.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 12.2 mttt -38.39 -42.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.63 -68.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -40.08 -29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 6' ' ' LEU . 2.9 mm-40 -79.56 -50.83 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.88 -37.22 76.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.621 HD11 ' HD1' ' A' ' 101' ' ' PHE . 41.8 mt -72.97 -66.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -47.41 -42.29 21.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.439 ' CB ' ' O ' ' A' ' 8' ' ' GLN . 55.6 tp -61.39 -52.04 66.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HE2' HD13 ' A' ' 107' ' ' LEU . 38.7 t80 -49.19 -60.63 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -60.42 -30.99 69.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.6 t -73.25 -25.27 60.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LEU . 37.4 mt -75.95 159.2 81.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.01 138.89 23.61 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' PRO . 6.0 tttt -35.0 -69.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -33.48 -56.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLN . 14.4 mt -61.99 -53.44 55.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 11.0 mtt180 -38.57 -49.34 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -51.16 -46.51 62.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -64.99 -44.0 90.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.699 HG12 ' CE2' ' A' ' 28' ' ' TYR . 84.1 t -46.59 -60.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.644 HD22 ' HZ ' ' A' ' 111' ' ' PHE . 88.8 mt -42.78 -40.68 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 26' ' ' LEU . 4.2 mm? -73.73 -53.95 9.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.648 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.6 mt-10 -42.79 -51.09 5.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.699 ' CE2' HG12 ' A' ' 24' ' ' VAL . 6.7 m-85 -49.1 -66.27 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.87 -24.98 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -75.18 -34.06 61.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' TYR . 8.6 mttt -80.48 -33.42 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.518 HG22 ' HA2' ' A' ' 80' ' ' GLY . 44.0 t -43.74 103.27 0.31 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.21 41.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -75.04 153.48 41.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -75.01 147.23 33.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.797 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.96 155.22 43.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.97 125.99 9.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.59 -3.37 36.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.725 HG21 ' HG2' ' A' ' 36' ' ' PRO . 3.2 t -92.77 132.75 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.436 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 13.8 tt0 -101.71 118.42 36.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 65' ' ' TYR . 2.3 mp -101.24 151.29 22.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -103.03 118.83 37.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.7 ttt-85 -67.85 140.29 56.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.484 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 59.2 t -91.74 90.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -50.5 -31.63 15.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -26.6 62.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.428 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -97.12 112.1 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.287 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.5 -20.96 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 p -91.17 164.49 24.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 94.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.457 ' HE2' ' HB2' ' A' ' 122' ' ' ALA . 5.6 t80 -124.72 113.0 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -113.75 113.01 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.668 HG12 ' HD1' ' A' ' 66' ' ' PHE . 10.4 m -109.14 165.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 62.1 t60 -158.93 133.86 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.623 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.69 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -129.03 128.19 43.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 14.2 m-20 -144.86 167.49 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' HB1' ' A' ' 133' ' ' ALA . 47.6 t -113.64 105.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.39 101.68 13.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.51 -82.08 1.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.93 14.52 1.73 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.6 mtmt -129.41 161.39 30.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -98.03 126.13 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 10.9 mmt-85 -95.57 138.04 33.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 87' ' ' GLU . 17.5 mt -121.79 144.3 48.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 57.4 m-85 -148.04 124.82 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.668 ' HD1' HG12 ' A' ' 53' ' ' VAL . 67.7 m-85 -124.9 140.1 53.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -123.52 118.96 28.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.608 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.621 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.4 t -131.61 114.32 15.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -62.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -23.56 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.39 43.52 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.41 117.92 48.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.773 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.97 -5.55 16.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.8 p -91.46 -34.89 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 t -92.47 -45.17 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.621 ' HG3' HG21 ' A' ' 68' ' ' VAL . 12.7 tttt -62.21 -42.58 99.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -38.82 -68.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 1.8 t80 -45.29 -50.17 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.723 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.6 -48.87 19.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.518 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -62.7 -30.3 76.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.43 -46.62 59.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 79' ' ' ALA . 3.1 mt -58.57 -36.37 73.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -79.08 -14.84 58.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -95.69 -0.17 51.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.557 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -133.34 -37.21 0.25 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.748 HD11 HG21 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -96.85 -70.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 83' ' ' ARG . 10.5 tm-20 -30.63 114.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.85 0.39 57.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.867 ' O ' HG13 ' A' ' 62' ' ' VAL . 24.4 mm-40 -96.26 -172.77 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.507 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -92.4 161.05 33.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.628 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.01 -12.78 21.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -94.34 -35.27 12.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.06 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 62' ' ' VAL . 25.0 t -67.93 -55.84 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 91' ' ' PRO . 3.5 mm? -50.37 -35.48 28.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.46 -13.42 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.748 HG21 HD11 ' A' ' 86' ' ' LEU . 46.7 t -84.52 114.02 52.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 173.83 13.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.869 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.4 Cg_endo -74.96 0.76 8.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.96 40.53 1.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.621 ' HD1' HD11 ' A' ' 10' ' ' LEU . 4.8 p90 -74.5 -14.31 60.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.792 ' HB2' HD23 ' A' ' 107' ' ' LEU . 47.0 p90 -92.68 -20.74 20.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -46.77 133.94 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 67.81 76.42 0.41 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.8 m-85 -170.36 -50.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 108' ' ' GLU . . . 161.93 -46.07 0.36 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.792 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -38.9 -31.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -66.17 -54.51 24.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -79.84 -11.4 59.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.606 ' CD1' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -86.96 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.644 ' HZ ' HD22 ' A' ' 25' ' ' LEU . 60.4 m-85 -91.15 129.73 37.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 33.1 p -39.21 159.03 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.05 20.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.83 -57.58 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -19.26 25.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 108' ' ' GLU . 6.5 mt -68.29 -48.57 64.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -39.26 -42.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -63.19 -49.56 70.15 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.7 mp -50.61 -35.94 32.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 0.802 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -65.84 -66.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.531 ' HB1' ' HE ' ' A' ' 125' ' ' ARG . . . -32.51 -49.59 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.457 ' HB2' ' HE2' ' A' ' 51' ' ' PHE . . . -41.31 -57.45 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.2 tm? -61.72 -52.96 62.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 99' ' ' PRO . 10.5 mp -41.64 -58.22 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.531 ' HE ' ' HB1' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -53.48 -64.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.69 HD22 ' HB2' ' A' ' 55' ' ' ALA . 25.2 mt -41.99 -53.81 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.523 ' HG3' HD22 ' A' ' 123' ' ' LEU . 1.1 mt-30 -55.79 -35.11 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.59 -11.46 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.574 ' HG2' ' HB3' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -98.35 -32.67 11.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 133' ' ' ALA . 55.4 t -69.27 -45.21 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.66 -33.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.873 ' O ' HG22 ' A' ' 135' ' ' THR . 0.2 OUTLIER -72.52 -49.31 33.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.516 ' HB1' HG23 ' A' ' 57' ' ' VAL . . . -50.99 -26.12 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 91' ' ' PRO . 25.8 mt -58.0 -27.85 63.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.873 HG22 ' O ' ' A' ' 132' ' ' LYS . 9.0 t -89.69 -3.15 58.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.66 HG13 HD12 ' A' ' 6' ' ' LEU . 55.0 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.542 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.97 173.66 14.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.407 ' C ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.95 -58.3 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -31.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.66 HD12 HG13 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -85.48 -67.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -43.84 -28.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 6' ' ' LEU . 5.0 mm100 -66.48 -52.66 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.451 ' HB1' ' OH ' ' A' ' 28' ' ' TYR . . . -56.76 -52.27 65.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 101' ' ' PHE . 81.5 mt -57.09 -56.31 23.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.04 -54.29 44.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.11 -48.64 61.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 14.4 t80 -50.24 -62.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -56.45 -25.3 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -77.82 -34.98 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.2 mt -73.62 159.18 85.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.476 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.3 Cg_endo -74.96 136.63 20.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -34.77 -69.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.8 pm0 -34.9 -57.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' CG ' ' A' ' 17' ' ' PRO . 15.5 mt -59.5 -55.07 39.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' LEU . 10.6 mtt180 -37.59 -56.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -43.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.7 mm-40 -69.14 -44.48 72.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG1' ' CE1' ' A' ' 28' ' ' TYR . 79.5 t -48.05 -64.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.525 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 74.5 mt -40.31 -42.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.9 mm? -66.0 -55.67 15.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.1 mt-10 -45.81 -50.97 13.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.583 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.5 m-30 -45.23 -55.2 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -58.82 -29.8 67.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -71.57 -27.4 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.61 31.69 1.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.837 HG22 ' HD2' ' A' ' 83' ' ' ARG . 54.7 t -121.41 102.03 43.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 161.41 38.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.2 Cg_endo -74.99 155.86 43.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.3 Cg_endo -74.99 155.05 42.94 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 156.09 43.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.05 121.01 6.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.84 -31.85 4.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.486 HG21 ' HG2' ' A' ' 36' ' ' PRO . 54.1 t -67.24 126.92 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -95.12 118.64 32.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 53' ' ' VAL . 2.0 mp -104.28 151.21 23.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -103.42 126.39 50.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 17.8 ttp180 -63.13 144.86 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 51' ' ' PHE . 89.5 t -97.22 91.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -55.26 -42.87 74.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.58 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -49.68 -24.47 2.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 t -102.22 129.7 48.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -53.73 -40.35 66.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.8 p -81.93 153.9 69.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.97 76.07 3.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.7 t80 -92.69 100.88 13.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 6.4 m-85 -90.45 138.76 31.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.653 HG12 ' HD1' ' A' ' 66' ' ' PHE . 19.6 m -140.62 160.98 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.46 ' N ' HD23 ' A' ' 41' ' ' LEU . 75.9 t60 -151.56 121.53 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -112.8 136.56 52.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' ARG . 16.4 m-20 -165.09 168.99 16.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.804 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.7 OUTLIER -136.42 126.69 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -121.16 101.86 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.1 -82.11 0.72 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.05 19.89 0.65 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 2.3 mtmp? -136.96 149.76 47.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.928 HG23 HD11 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -95.58 129.84 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.674 ' C ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -96.48 125.36 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.928 HD11 HG23 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -108.57 141.24 40.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 93.7 m-85 -141.66 119.65 12.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.902 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 33.1 m-85 -118.47 136.59 53.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -127.97 116.72 20.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.47 HG12 ' H ' ' A' ' 71' ' ' GLU . 14.9 t -125.32 113.1 25.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -62.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -54.66 -21.52 10.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.47 ' H ' HG12 ' A' ' 68' ' ' VAL . 3.7 mt-10 66.26 39.82 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -63.54 132.97 95.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.812 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.5 Cg_endo -75.0 -9.47 20.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.6 p -96.29 -40.27 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.486 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 45.3 t -73.33 -36.79 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.658 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.8 tttp -78.27 -46.05 21.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.812 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -40.09 -64.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.959 ' CD1' HD13 ' A' ' 119' ' ' LEU . 3.2 t80 -46.29 -57.4 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.902 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -39.47 -57.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 83' ' ' ARG . . . -52.5 -35.05 43.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.748 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.3 tt -63.65 -41.37 98.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.572 ' CA ' HD12 ' A' ' 86' ' ' LEU . 2.9 mm? -61.85 -63.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.837 ' HD2' HG22 ' A' ' 32' ' ' VAL . 6.3 ptp180 -54.67 -38.48 66.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 8.4 mm-40 -37.22 -55.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.714 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -125.14 47.39 1.02 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.75 HD21 HG21 ' A' ' 97' ' ' VAL . 30.7 mt -155.92 -42.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.824 ' HA ' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -62.12 112.17 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.9 -8.59 63.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 1.097 ' OE1' ' HB3' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -73.71 -166.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.264 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.677 ' O ' ' OE1' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -92.31 164.82 21.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.011 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.58 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -11.37 21.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.31 -54.7 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 1.097 ' HB3' ' OE1' ' A' ' 89' ' ' GLU . . . -53.54 -26.0 19.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.99 HG23 ' CG ' ' A' ' 89' ' ' GLU . 2.3 t -72.36 -56.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.747 HD21 ' HB ' ' A' ' 130' ' ' VAL . 4.4 mm? -57.56 -33.89 68.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -58.51 -13.83 6.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.75 HG21 HD21 ' A' ' 86' ' ' LEU . 45.2 t -83.02 116.55 64.79 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 174.29 13.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.857 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -75.01 -22.44 14.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.05 36.41 4.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.539 ' O ' HD13 ' A' ' 10' ' ' LEU . 31.4 p90 -70.97 -7.56 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.643 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 5.3 p90 -99.3 -16.35 18.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -53.38 149.92 7.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.559 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 57.35 75.01 0.28 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 7.8 m-85 -172.64 -46.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.1 -34.59 1.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -58.74 -16.58 17.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.824 ' HA ' HD11 ' A' ' 116' ' ' LEU . 3.9 tt0 -62.92 -39.68 95.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -94.7 -46.66 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.425 ' CD2' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -43.06 -57.48 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.49 ' HE2' HD23 ' A' ' 107' ' ' LEU . 95.9 m-85 -88.05 14.98 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 111' ' ' PHE . 1.5 p 53.91 168.39 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.509 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -74.96 -37.15 2.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.797 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -69.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -39.06 -44.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.824 HD11 ' HA ' ' A' ' 108' ' ' GLU . 9.6 mt -43.4 -57.98 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.509 ' CD ' ' O ' ' A' ' 113' ' ' PRO . 1.7 mpt_? -38.79 -57.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -55.92 -36.86 68.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.959 HD13 ' CD1' ' A' ' 78' ' ' PHE . 10.6 mt -66.48 -53.35 36.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 121' ' ' ALA . 3.2 mt-10 -42.82 -62.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.581 ' HB1' ' HE ' ' A' ' 125' ' ' ARG . . . -30.97 -45.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -46.42 -65.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.585 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.3 tm? -57.07 -50.96 71.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 99' ' ' PRO . 11.2 mp -43.36 -58.73 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.581 ' HE ' ' HB1' ' A' ' 121' ' ' ALA . 13.7 mtt-85 -52.88 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.52 HD21 ' HB ' ' A' ' 53' ' ' VAL . 4.6 mt -39.63 -58.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.6 ' HB3' HD13 ' A' ' 95' ' ' LEU . 3.8 mt-30 -51.37 -39.85 57.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -71.7 -23.03 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.572 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 19.7 mt-30 -83.92 -45.0 13.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.747 ' HB ' HD21 ' A' ' 95' ' ' LEU . 93.0 t -58.2 -50.59 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.46 ' HG3' HD11 ' A' ' 95' ' ' LEU . 7.6 mtp180 -42.42 -35.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 136' ' ' SER . 14.1 mmmt -63.21 -45.37 91.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.804 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -53.82 -47.05 71.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 134' ' ' LEU . 6.8 mp -49.59 -39.74 36.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.4 t -120.38 40.18 3.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' LYS . 29.5 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.038 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.492 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 22.3 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.492 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.0 175.61 11.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.809 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.04 -55.9 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -38.9 -43.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.521 HD22 ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.88 -69.91 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -39.26 -30.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' ' C ' ' A' ' 6' ' ' LEU . 1.3 mm-40 -73.86 -57.73 3.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -26.71 60.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.598 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 59.4 mt -82.29 -57.65 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.89 -45.24 67.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' LEU . 54.6 tp -58.62 -41.46 85.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 30.2 t80 -61.84 -64.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -54.81 -26.16 33.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.9 t -80.43 -37.29 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 20.8 mt -67.18 157.46 85.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.0 140.19 25.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -35.67 -69.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -32.94 -56.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' GLN . 13.9 mt -61.54 -53.82 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' NE ' ' O ' ' A' ' 16' ' ' LEU . 9.9 mtt180 -38.54 -48.31 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -46.78 -46.34 20.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.055 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 20' ' ' LEU . 2.7 mm100 -66.21 -49.67 66.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.097 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG11 ' HD1' ' A' ' 13' ' ' PHE . 16.9 t -40.66 -65.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.617 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 61.8 mt -39.49 -51.83 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 26' ' ' LEU . 3.4 mm? -57.86 -57.5 12.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.5 mt-10 -38.33 -60.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.814 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.8 m-30 -48.76 -47.37 41.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -60.54 -16.9 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -93.49 -23.32 18.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -97.17 41.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 28' ' ' TYR . 57.4 t -125.86 90.76 49.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 156.31 43.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.21 42.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.455 ' CG ' HD11 ' A' ' 41' ' ' LEU . 18.3 Cg_endo -75.07 169.28 22.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.87 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.96 160.36 40.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.68 3.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.01 -58.4 0.71 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.87 HG11 ' HD2' ' A' ' 36' ' ' PRO . 11.5 p -42.08 137.65 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -96.29 136.25 37.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD11 ' CG ' ' A' ' 35' ' ' PRO . 1.1 mt -118.73 139.67 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.11 128.45 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -70.87 124.8 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -74.96 90.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' CYS . 17.2 m-70 -64.86 -43.31 93.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.643 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.486 ' CB ' ' HB2' ' A' ' 121' ' ' ALA . 7.5 mm-40 -38.29 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -105.64 156.5 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -95.43 47.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -148.59 152.87 38.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 59.67 5.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -102.48 108.94 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.46 ' O ' HG13 ' A' ' 53' ' ' VAL . 3.2 m-85 -102.07 158.33 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.952 ' HB ' HD21 ' A' ' 126' ' ' LEU . 20.6 m -154.46 156.1 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.447 ' N ' HD23 ' A' ' 41' ' ' LEU . 83.0 t60 -145.76 114.14 6.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.664 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.672 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -100.84 136.71 40.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 63' ' ' ARG . 11.6 m-20 -164.63 168.64 17.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.779 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.6 OUTLIER -135.41 126.05 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.81 101.41 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.4 -83.31 0.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.85 18.36 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 24.1 mtmt -138.08 154.12 49.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.8 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 89' ' ' GLU . 1.1 m -94.86 125.25 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.55 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 30.3 mmt180 -88.51 102.67 15.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 64' ' ' LEU . 6.8 mt -81.64 126.68 32.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 75.2 m-85 -128.28 118.82 23.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.599 ' CD1' HG12 ' A' ' 53' ' ' VAL . 66.9 m-85 -119.36 133.46 55.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -133.43 112.17 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.609 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.576 HG13 ' HD2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -136.66 117.5 11.11 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.1 Cg_endo -75.04 -64.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' PRO . 35.1 t70 -39.24 -29.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.55 ' H ' HG22 ' A' ' 68' ' ' VAL . 3.3 mt-10 68.37 18.9 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 1.035 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -40.05 127.71 1.63 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.36 19.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.4 p -97.68 -32.49 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 1.035 HG22 ' HB3' ' A' ' 72' ' ' ALA . 8.4 m -82.22 -47.31 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.606 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -59.91 -46.75 88.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.19 -66.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CD1' HD13 ' A' ' 119' ' ' LEU . 2.3 t80 -43.53 -47.24 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.587 ' HB1' ' CG ' ' A' ' 66' ' ' PHE . . . -60.88 -55.82 28.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.615 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -54.66 -18.5 10.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.1 -57.79 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.448 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 8.9 mt -54.31 -31.36 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 27.4 ttt85 -82.28 -13.1 57.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 4.6 mm-40 -97.59 -1.97 42.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.483 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -127.72 -37.51 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.023 HD12 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -93.42 -69.78 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.68 ' C ' ' O ' ' A' ' 86' ' ' LEU . 6.9 tp10 -7.04 111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.68 1.89 87.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.897 ' O ' HG13 ' A' ' 62' ' ' VAL . 12.9 mm-40 -81.57 169.22 17.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.424 ' HB3' ' HD2' ' A' ' 91' ' ' PRO . 1.2 m -75.87 163.17 68.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.051 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.786 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -13.15 21.43 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.57 -49.81 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -59.29 -22.16 60.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.023 HG22 HD12 ' A' ' 86' ' ' LEU . 2.5 t -77.48 -44.68 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.828 HD11 ' HG3' ' A' ' 131' ' ' ARG . 4.0 mm? -66.72 -38.16 86.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.26 -20.64 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.838 HG21 HD11 ' A' ' 86' ' ' LEU . 61.8 t -65.9 117.87 46.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.01 167.91 26.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.641 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.2 Cg_endo -75.03 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.96 53.84 0.63 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.448 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 7.1 p90 -78.88 4.25 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -112.43 -1.44 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -52.72 -56.04 18.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.586 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . -76.73 53.82 3.31 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.598 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 98.2 m-85 -164.44 -163.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -125.42 58.9 0.66 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 10' ' ' LEU . 4.5 mt -99.2 -32.97 10.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -64.4 -36.76 85.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -48.71 -23.94 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -105.66 -48.47 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -91.54 117.44 29.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.8 p -53.39 163.38 0.99 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.28 16.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -50.84 10.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 118' ' ' GLY . 0.2 OUTLIER -63.84 -42.04 97.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.95 -50.58 14.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -50.9 -32.22 19.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -85.9 -18.68 59.23 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.513 HD13 ' CD1' ' A' ' 78' ' ' PHE . 7.6 mt -85.82 -55.03 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 0.804 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.51 ' O ' HD22 ' A' ' 124' ' ' LEU . 21.3 mm-40 -41.35 -41.84 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.486 ' HB2' ' CB ' ' A' ' 46' ' ' GLU . . . -41.59 -50.14 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 121' ' ' ALA . . . -36.47 -48.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 31.9 tp -66.67 -68.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.681 ' H ' HD22 ' A' ' 124' ' ' LEU . 1.5 mm? -40.85 -51.4 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.593 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 3.0 ttt85 -56.35 -65.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.952 HD21 ' HB ' ' A' ' 53' ' ' VAL . 16.7 mt -45.44 -55.87 5.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.672 ' HB3' HD13 ' A' ' 95' ' ' LEU . 93.5 mt-30 -48.84 -34.67 12.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -65.54 -33.49 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.671 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 4.1 mt-30 -77.42 -45.25 26.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.672 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 60.7 t -55.56 -50.81 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.828 ' HG3' HD11 ' A' ' 95' ' ' LEU . 4.1 mtt180 -44.93 -34.06 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 10.5 mmmm -63.01 -41.48 99.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.779 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -57.94 -35.67 71.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.3 mt -55.16 -42.97 73.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 66.9 p -104.39 17.4 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.437 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.039 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.878 HG12 ' HA ' ' A' ' 97' ' ' VAL . 5.0 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.0 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.02 -56.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 6.6 mmmt -35.98 -35.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -85.81 -65.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 0.3 OUTLIER -40.53 -31.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.36 -59.19 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.45 -34.55 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.661 HD11 ' HD2' ' A' ' 101' ' ' PHE . 76.4 mt -74.73 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -50.77 -50.0 56.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.871 HD13 ' N ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -51.85 -69.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.871 ' N ' HD13 ' A' ' 12' ' ' LEU . 33.4 t80 -37.54 -59.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -52.92 -41.14 64.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . 14.9 t -68.75 -34.86 76.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.746 ' CD1' HD11 ' A' ' 12' ' ' LEU . 20.8 mt -65.06 154.2 87.3 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.556 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.04 138.0 22.35 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -34.79 -69.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -34.39 -55.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.556 HD12 ' CG ' ' A' ' 17' ' ' PRO . 14.8 mt -63.05 -51.43 66.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 9.1 mtt180 -41.4 -55.34 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -41.7 -33.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' LEU . 4.0 mt-30 -74.81 -47.99 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.424 HG21 HD12 ' A' ' 16' ' ' LEU . 66.9 t -47.79 -62.98 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.601 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 37.6 mt -43.16 -43.19 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 26' ' ' LEU . 24.4 mt -65.82 -46.77 77.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 30' ' ' ALA . 3.2 mt-10 -54.43 -56.87 14.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.848 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.3 m-30 -42.71 -53.22 4.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -60.52 -32.25 71.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -72.01 -29.6 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 0.3 OUTLIER -95.63 45.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 28' ' ' TYR . 95.5 t -136.03 96.14 13.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.67 39.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.14 43.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 160.86 39.52 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.556 1.819 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.841 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.05 164.42 33.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.35 9.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.75 55.88 0.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.841 HG11 ' HD2' ' A' ' 36' ' ' PRO . 11.4 p -161.82 143.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -112.34 127.3 55.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.15 155.3 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -116.31 118.78 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -54.93 141.43 33.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 51' ' ' PHE . 97.7 t -99.11 93.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.36 -35.95 78.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.06 -23.77 14.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -102.96 156.62 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.49 -77.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.3 p -58.67 160.88 9.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.04 80.24 2.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.779 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.3 t80 -88.75 103.89 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 11.7 m-85 -90.76 129.11 36.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.855 ' HB ' HD21 ' A' ' 126' ' ' LEU . 24.4 m -135.58 157.65 39.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.451 ' CD2' ' CG2' ' A' ' 39' ' ' VAL . 80.7 t60 -158.25 134.13 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.603 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.66 134.03 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 5.4 m-20 -139.37 173.64 11.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 93.2 t -132.26 122.15 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.03 112.21 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.97 16.34 58.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.75 -4.55 84.99 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -104.73 173.82 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 89' ' ' GLU . 1.1 m -109.41 127.31 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.594 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -87.8 121.12 29.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 64' ' ' LEU . 2.2 mp -97.71 141.52 30.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 66.2 m-85 -146.42 119.05 8.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.594 ' HD1' HG12 ' A' ' 53' ' ' VAL . 40.4 m-85 -128.94 139.23 52.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -138.15 113.16 9.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.604 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.4 t -120.94 119.83 29.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -57.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -16.35 60.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 67.1 26.02 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -42.37 116.39 1.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.542 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -75.04 -10.5 21.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 p -94.77 -24.71 16.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.508 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 23.9 t -94.03 -45.3 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.604 ' HG3' HG21 ' A' ' 68' ' ' VAL . 2.2 tttt -63.46 -40.41 97.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -44.13 -65.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 3.5 t80 -45.26 -45.0 11.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.582 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -60.17 -47.2 86.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.37 -25.57 62.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD21 HD21 ' A' ' 10' ' ' LEU . 3.0 tp -72.43 -49.92 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.482 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 5.9 mt -57.85 -31.68 66.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 13.7 ttt85 -84.0 -11.83 56.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -97.37 -0.9 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.499 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -130.5 -39.0 0.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.005 HD12 HG12 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -93.18 -69.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.262 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 86' ' ' LEU . 1.3 tt0 -1.22 105.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.14 8.42 81.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.902 ' O ' HG13 ' A' ' 62' ' ' VAL . 23.4 mm-40 -89.71 166.68 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.991 ' O ' HG13 ' A' ' 94' ' ' VAL . 97.3 p -79.37 158.76 73.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.715 ' HA ' HG22 ' A' ' 94' ' ' VAL . 18.1 Cg_endo -75.06 -8.04 19.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.37 -32.22 17.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -85.26 -16.75 39.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.005 HG12 HD12 ' A' ' 86' ' ' LEU . 9.0 m -87.54 -47.83 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 91' ' ' PRO . 1.9 mt -57.4 -42.15 81.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 12.8 pt-20 -56.99 -38.82 73.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.878 ' HA ' HG12 ' A' ' 2' ' ' VAL . 49.2 t -57.02 116.19 12.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.416 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.01 172.17 16.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -13.9 21.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.5 36.82 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.661 ' HD2' HD11 ' A' ' 10' ' ' LEU . 29.7 p90 -74.42 -10.59 59.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.87 ' HB2' HD23 ' A' ' 107' ' ' LEU . 37.5 p90 -94.51 -14.83 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -50.69 137.26 20.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 61.3 78.2 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 4.6 m-85 -171.16 -47.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.98 -40.28 0.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.87 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -48.2 -53.98 15.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.66 ' HA ' HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -48.04 -29.6 3.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.55 -60.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.432 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -45.5 -64.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.601 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 17.6 m-85 -80.2 139.79 36.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 112' ' ' THR . 27.6 p -62.86 160.85 33.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -10.39 21.15 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.94 -53.5 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -67.83 -27.12 66.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.672 HD22 ' CZ ' ' A' ' 102' ' ' TYR . 4.4 mt -61.14 -48.09 83.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -39.27 -46.46 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' LEU . . . -69.29 -56.69 8.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.577 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.4 mp -39.91 -35.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.25 -53.45 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.694 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -42.52 -44.29 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.01 -65.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.577 HD21 ' O ' ' A' ' 97' ' ' VAL . 42.3 tp -49.0 -57.53 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 121' ' ' ALA . 4.3 mt -45.57 -61.83 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.3 OUTLIER -51.1 -59.36 4.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.855 HD21 ' HB ' ' A' ' 53' ' ' VAL . 6.1 mt -47.14 -47.14 23.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 63.5 mt-30 -64.17 -26.06 68.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -77.16 -18.93 57.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -89.87 -25.68 20.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 126' ' ' LEU . 60.0 t -76.92 -46.83 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -47.91 -26.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 135' ' ' THR . 17.3 mmmt -77.6 -38.2 48.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -65.82 -36.12 82.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.96 -41.93 68.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 132' ' ' LYS . 12.8 t -85.44 11.56 10.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttm . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.543 0.211 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 17.3 t -48.4 140.81 9.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.02 174.55 12.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -75.04 -53.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' PRO . 2.7 mmmt -38.3 -38.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.595 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -84.71 -61.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -41.14 -33.75 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -49.56 60.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.683 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -58.44 -49.25 77.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.872 HD13 ' CE2' ' A' ' 105' ' ' TYR . 71.6 mt -62.28 -60.28 3.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -47.58 -46.6 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LEU . 43.7 tp -62.58 -36.58 83.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.41 -60.74 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -56.62 -18.16 11.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -91.14 -38.35 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.537 HD13 HG21 ' A' ' 24' ' ' VAL . 19.7 mt -66.3 156.08 86.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.492 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.3 Cg_endo -75.0 134.05 17.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 17' ' ' PRO . 38.7 tttt -34.78 -68.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.1 pt-20 -35.41 -48.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' A' ' 17' ' ' PRO . 13.6 mt -69.63 -48.99 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 18' ' ' LYS . 9.6 mtt85 -39.99 -39.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 t -63.44 -52.07 63.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.63 -27.81 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.537 HG21 HD13 ' A' ' 16' ' ' LEU . 51.8 t -68.99 -54.32 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.548 HD12 ' CD1' ' A' ' 110' ' ' PHE . 13.9 mt -51.78 -33.71 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.71 -61.14 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.3 mt-10 -41.73 -51.93 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -42.25 -57.73 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -52.85 -38.2 61.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -64.49 -23.91 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' CZ ' ' A' ' 83' ' ' ARG . 0.8 OUTLIER -100.03 41.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' HD3' ' A' ' 83' ' ' ARG . 55.5 t -125.89 97.06 36.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.51 42.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.12 42.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 165.05 32.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.764 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.96 159.53 41.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.39 4.57 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.99 -57.07 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.764 HG11 ' HD2' ' A' ' 36' ' ' PRO . 7.3 p -39.9 142.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -108.33 127.31 53.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.1 143.83 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -101.02 130.11 46.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.41 146.48 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.481 HG12 ' H ' ' A' ' 47' ' ' CYS . 89.1 t -103.57 91.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -48.43 71.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.662 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.11 -41.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.481 ' H ' HG12 ' A' ' 44' ' ' VAL . 33.2 t -87.11 144.92 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -60.57 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -62.35 155.49 66.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.01 74.46 4.0 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 7.4 t80 -87.93 119.1 27.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 10.6 m-85 -108.67 132.88 53.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.74 ' HB ' HD21 ' A' ' 126' ' ' LEU . 21.6 m -133.64 161.69 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 80.9 t60 -159.4 112.95 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 126' ' ' LEU . . . -102.12 140.02 36.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' ARG . 30.1 m-20 -165.04 170.45 15.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.989 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -135.34 124.43 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.34 114.5 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.58 -79.73 1.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.04 26.22 0.36 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 13.9 mttp -141.87 155.69 45.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 89' ' ' GLU . 22.4 t -84.02 153.48 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 3.0 mmt-85 -130.77 102.13 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 8.4 mt -86.08 142.07 28.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 75.0 m-85 -143.56 120.01 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.605 ' HD1' HG12 ' A' ' 53' ' ' VAL . 96.0 m-85 -123.57 153.35 40.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -142.11 112.38 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.627 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.413 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.9 t -111.94 117.41 48.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.416 ' CG ' ' HG2' ' A' ' 50' ' ' PRO . 18.1 Cg_endo -75.04 -52.8 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -77.91 0.7 23.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 5.0 pt-20 46.83 38.06 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.947 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -52.99 139.33 43.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.628 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -74.99 -36.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.811 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.5 p -78.28 -27.2 47.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.947 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 37.2 t -80.33 -47.21 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.542 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 8.8 tttt -68.51 -43.7 76.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -40.07 -67.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.706 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 43.4 t80 -53.72 -58.31 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -40.72 -36.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -76.08 -47.35 11.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.041 HD22 ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.19 -32.45 64.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 81' ' ' LEU . 56.0 mt -63.66 -53.44 51.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -71.7 -30.46 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.683 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -53.26 -33.62 53.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.495 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -127.51 40.52 1.74 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.77 HD22 HG22 ' A' ' 94' ' ' VAL . 76.7 mt -154.48 -44.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.91 108.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.245 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.66 -20.17 39.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.93 ' O ' HG23 ' A' ' 62' ' ' VAL . 73.1 mm-40 -62.65 -179.03 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.517 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 1.5 m -89.29 160.71 41.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.45 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.0 -11.53 21.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.73 -35.68 12.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.712 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -74.1 -36.17 64.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.77 HG22 HD22 ' A' ' 86' ' ' LEU . 15.6 t -69.16 -22.42 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.745 HD21 ' O ' ' A' ' 127' ' ' GLN . 8.5 mt -88.58 -34.69 17.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.05 -10.78 32.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 93' ' ' ALA . 48.5 t -75.57 127.75 85.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.79 32.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.463 1.77 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.45 11.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.99 57.08 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.595 ' CE1' HD11 ' A' ' 6' ' ' LEU . 28.5 p90 -87.7 3.45 47.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.768 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 2.5 p90 -109.23 9.24 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -85.53 -37.25 19.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . -81.18 49.98 4.1 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.872 ' CE2' HD13 ' A' ' 10' ' ' LEU . 65.5 m-85 -165.12 -109.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -168.15 45.18 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.524 HD21 HD21 ' A' ' 25' ' ' LEU . 1.9 mt -101.33 -45.25 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 1.019 ' HA ' HD11 ' A' ' 116' ' ' LEU . 2.1 tt0 -50.81 -43.36 58.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -3.84 20.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.548 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -102.41 -42.48 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.511 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 37.4 m-85 -104.36 16.62 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.443 ' O ' ' O ' ' A' ' 111' ' ' PHE . 4.7 p 54.28 164.87 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.419 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.13 20.79 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -86.19 -68.01 0.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.5 ttm180 -42.43 -31.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 1.019 HD11 ' HA ' ' A' ' 108' ' ' GLU . 25.8 mt -62.09 -47.58 83.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 116' ' ' LEU . 25.9 mtt180 -35.54 -49.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -71.57 -55.03 7.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.71 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -48.95 -42.54 37.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.455 ' CG ' ' OH ' ' A' ' 102' ' ' TYR . 22.5 mt-10 -57.63 -60.04 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -38.73 -33.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -54.62 -57.1 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 120' ' ' GLU . 16.3 tp -60.05 -61.99 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.7 mt -41.03 -53.03 3.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.481 ' CD ' HG22 ' A' ' 44' ' ' VAL . 30.3 mtt85 -55.36 -64.52 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.74 HD21 ' HB ' ' A' ' 53' ' ' VAL . 5.7 mt -45.15 -51.98 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.745 ' O ' HD21 ' A' ' 95' ' ' LEU . 7.4 mt-30 -51.54 -30.31 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -80.03 -24.17 40.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.497 ' HA ' ' CD ' ' A' ' 132' ' ' LYS . 7.5 mt-30 -85.29 -18.27 34.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 126' ' ' LEU . 26.5 t -77.89 -51.2 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 130' ' ' VAL . 13.2 mtp85 -35.39 -38.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' A' ' 129' ' ' GLN . 0.1 OUTLIER -65.49 -53.99 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.231 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.989 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -43.8 -47.66 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.236 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.444 ' CD1' HG12 ' A' ' 130' ' ' VAL . 8.3 mp -44.58 -45.03 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 135' ' ' THR . 9.9 t -125.0 43.19 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 132' ' ' LYS . 44.3 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.472 0.177 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.622 ' CG1' HD12 ' A' ' 6' ' ' LEU . 21.9 t 65.16 140.71 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 174.48 12.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.441 1.758 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.94 -58.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -38.06 -31.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.622 HD12 ' CG1' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -86.26 -68.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -41.5 -31.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -65.77 -50.98 62.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.2 -51.23 70.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 92.9 mt -59.13 -54.61 45.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -53.24 -44.13 67.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' LEU . 33.4 tp -67.56 -36.81 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 21' ' ' ARG . 13.7 t80 -56.45 -63.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.2 ttpt -57.19 -23.32 46.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -84.88 -24.0 28.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.61 HD13 HG21 ' A' ' 24' ' ' VAL . 19.7 mt -75.39 161.75 75.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.586 ' HG2' HD13 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -75.0 140.18 25.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.464 1.77 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' GLU . 5.9 tttm -36.29 -68.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.79 ' HG3' HD12 ' A' ' 20' ' ' LEU . 1.6 tp10 -33.37 -48.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.79 HD12 ' HG3' ' A' ' 19' ' ' GLU . 9.6 mp -72.42 -48.83 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.485 ' HB3' ' CE2' ' A' ' 110' ' ' PHE . 37.7 mtt180 -38.19 -31.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -90.55 -41.96 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -62.67 -51.83 65.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.61 HG21 HD13 ' A' ' 16' ' ' LEU . 18.7 t -44.85 -53.07 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.62 HD13 ' CE2' ' A' ' 111' ' ' PHE . 48.0 mt -48.43 -45.45 36.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 26' ' ' LEU . 7.7 mt -59.78 -58.85 6.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.4 mt-10 -47.16 -54.69 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.515 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 2.9 m-30 -40.65 -47.1 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -60.63 -42.78 97.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -61.05 -19.94 61.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' O ' ' CZ ' ' A' ' 83' ' ' ARG . 1.5 mptp? -100.47 38.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 28' ' ' TYR . 79.3 t -122.2 94.04 48.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.7 42.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -74.97 155.75 43.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.1 Cg_endo -75.03 168.09 25.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.813 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.842 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.97 158.36 42.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 112.42 3.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.24 -57.78 0.72 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.842 HG11 ' HD2' ' A' ' 36' ' ' PRO . 14.3 p -39.98 141.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -101.98 141.88 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.51 145.32 50.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -100.01 123.06 43.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -60.16 138.57 57.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 51' ' ' PHE . 96.0 t -88.09 91.02 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -55.82 -47.28 77.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -45.93 -24.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' GLN . 1.8 t -118.86 100.15 7.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' CYS . 11.2 mt-30 -37.33 -42.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 33.0 p -52.58 146.78 16.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' THR . 18.3 Cg_endo -74.96 65.43 6.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.4 t80 -105.52 103.08 12.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -100.61 150.28 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.717 HG12 ' CD1' ' A' ' 66' ' ' PHE . 30.3 m -143.21 159.24 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.426 ' CD2' ' CG2' ' A' ' 39' ' ' VAL . 86.3 t60 -149.39 129.88 13.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.809 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -117.9 136.08 53.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 74.9 m-20 -144.59 174.66 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.8 t -130.36 115.07 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.98 125.06 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.07 34.98 89.91 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.15 3.0 55.43 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -114.43 154.79 27.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.751 HG23 HD12 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -96.18 127.36 48.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.536 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 2.5 mmm-85 -93.58 108.71 20.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.81 HD13 ' HA ' ' A' ' 87' ' ' GLU . 6.8 mp -82.24 133.49 35.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 49.3 m-85 -138.04 119.05 14.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.717 ' CD1' HG12 ' A' ' 53' ' ' VAL . 60.1 m-85 -117.93 149.98 40.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -145.87 114.38 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -138.89 112.57 8.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.96 -63.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.8 OUTLIER -39.29 -28.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' PRO . 18.4 mt-10 67.64 32.42 5.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 1.021 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -51.3 134.63 32.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.04 -10.73 21.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.567 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -97.81 -54.44 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 1.021 HG22 ' HB3' ' A' ' 72' ' ' ALA . 5.0 m -54.2 -49.98 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.781 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.5 tttt -60.99 -45.15 95.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 74' ' ' THR . . . -36.66 -68.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.778 ' CD1' HD23 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -45.52 -54.24 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -40.34 -50.66 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 84' ' ' GLU . . . -62.2 -34.63 89.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.778 HD23 ' CD1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -66.35 -42.0 88.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 3.2 mm? -66.44 -57.48 7.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 31' ' ' LYS . 1.1 ptm180 -64.39 -12.11 39.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.515 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 3.8 mm-40 -71.28 -34.75 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.681 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -141.86 46.8 0.87 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 85' ' ' GLY . 49.1 mt -155.81 -44.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.81 ' HA ' HD13 ' A' ' 64' ' ' LEU . 7.3 tm-20 -51.08 111.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.18 -14.01 66.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.697 ' O ' HG13 ' A' ' 62' ' ' VAL . 6.3 mm-40 -65.91 -176.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.757 ' O ' HG23 ' A' ' 94' ' ' VAL . 1.2 m -92.82 163.15 26.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.827 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.96 -35.19 3.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 2.6 mm-40 -70.68 -35.52 72.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.14 -30.61 49.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 90' ' ' SER . 21.5 t -72.95 -46.47 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.6 mm? -61.09 -37.09 81.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 3.8 mm-40 -57.46 -16.76 10.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.463 HG21 HD21 ' A' ' 86' ' ' LEU . 46.3 t -77.51 113.82 35.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.89 21.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.01 10.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.81 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.489 ' HA2' ' CE2' ' A' ' 102' ' ' TYR . . . -137.01 48.42 0.91 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 10' ' ' LEU . 7.0 p90 -78.24 1.77 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.489 ' CE2' ' HA2' ' A' ' 100' ' ' GLY . 50.8 p90 -105.92 -36.11 7.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 102' ' ' TYR . 17.5 mtt-85 -36.9 119.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 116.9 -69.21 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 46.9 m-85 -38.07 -85.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 0.767 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 158.71 58.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.54 HD11 ' CD2' ' A' ' 10' ' ' LEU . 1.9 mt -100.7 -39.09 8.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.474 ' HA ' HD11 ' A' ' 116' ' ' LEU . 15.4 mt-10 -58.53 -48.21 81.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -40.8 -28.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 21' ' ' ARG . 87.4 m-85 -104.29 -50.66 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.62 ' CE2' HD13 ' A' ' 25' ' ' LEU . 42.9 m-85 -76.93 107.27 9.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 111' ' ' PHE . 59.7 p -38.87 158.59 0.1 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -8.07 19.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 114' ' ' LEU . 2.4 mm? -88.43 -66.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.407 ' NH1' HG21 ' A' ' 74' ' ' THR . 69.7 mtt180 -48.62 -42.91 35.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 108' ' ' GLU . 14.9 mt -40.89 -60.19 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -41.06 -54.47 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.689 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -63.76 -56.53 18.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -39.83 -64.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -43.13 -44.25 4.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 118' ' ' GLY . . . -48.07 -38.84 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -49.4 -57.49 6.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.89 -53.38 58.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.6 -38.84 56.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 11.9 mtp85 -66.5 -61.52 1.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.543 HD21 ' HB ' ' A' ' 53' ' ' VAL . 3.3 mt -49.8 -51.19 41.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 19.6 mt-30 -52.52 -27.7 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.163 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -83.22 -26.96 30.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.689 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 80.4 mt-30 -82.2 -29.58 31.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.809 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 99.8 t -79.17 -55.63 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.808 ' HG3' HD11 ' A' ' 95' ' ' LEU . 7.3 mtt180 -42.79 -35.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.757 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -62.66 -44.82 95.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -54.38 -48.41 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 131' ' ' ARG . 7.9 mp -45.18 -51.98 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 132' ' ' LYS . 15.2 t -74.92 -25.39 58.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.416 ' N ' ' HB3' ' A' ' 96' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.516 0.198 . . . . 0.0 110.983 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 16.1 t -114.66 141.17 26.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.02 172.11 17.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.93 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' PRO . 1.1 mmmt -37.63 -32.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -87.64 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -43.63 -30.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -53.36 47.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.71 -57.06 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.568 HD11 ' HD1' ' A' ' 101' ' ' PHE . 48.6 mt -46.77 -56.9 5.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.23 -55.61 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.912 HD23 ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -48.82 -61.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.912 ' N ' HD23 ' A' ' 12' ' ' LEU . 21.2 t80 -42.76 -62.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 105' ' ' TYR . 5.3 tttp -56.19 -23.05 32.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.3 t -86.79 -7.21 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.948 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.655 HD11 HD21 ' A' ' 12' ' ' LEU . 60.7 mt -92.58 160.28 34.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.645 ' HG2' HD12 ' A' ' 20' ' ' LEU . 18.1 Cg_endo -75.08 127.91 11.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 17' ' ' PRO . 31.8 tttt -31.45 -67.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 12.8 pt-20 -35.95 -49.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.645 HD12 ' HG2' ' A' ' 17' ' ' PRO . 17.6 mt -68.55 -50.16 54.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.598 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 32.7 mtm-85 -48.12 -28.21 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.846 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -68.83 -33.47 73.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.8 pt20 -89.26 -36.31 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.487 HG21 HD13 ' A' ' 16' ' ' LEU . 55.1 t -52.92 -53.31 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 52.1 mt -53.88 -37.97 64.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.846 HD23 ' O ' ' A' ' 22' ' ' SER . 4.2 mm? -64.04 -55.82 19.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.8 mt-10 -47.91 -51.92 21.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.5 m-30 -44.1 -52.54 7.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -63.46 -32.52 73.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -85.89 -34.01 21.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' TYR . 51.2 t -41.28 101.29 0.24 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.81 43.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.4 Cg_endo -75.01 152.08 40.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.0 Cg_endo -75.04 155.82 42.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.612 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.1 Cg_endo -74.99 161.03 39.45 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.439 1.758 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 128.28 11.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.06 -31.9 7.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.612 HG21 ' HG2' ' A' ' 36' ' ' PRO . 13.8 t -63.69 134.19 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 4.7 tt0 -102.32 130.55 49.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.735 HD23 ' HA ' ' A' ' 53' ' ' VAL . 3.1 mp -114.83 152.04 32.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -109.93 134.1 52.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -71.63 138.35 48.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.762 HG22 ' HD3' ' A' ' 125' ' ' ARG . 89.6 t -95.95 94.9 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -30.23 71.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.626 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' OE1' ' HB2' ' A' ' 121' ' ' ALA . 1.3 tt0 -59.55 -15.23 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.426 ' C ' ' CG ' ' A' ' 48' ' ' GLN . 5.7 t -107.57 -18.59 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 108.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.426 ' CG ' ' C ' ' A' ' 47' ' ' CYS . 1.3 mt-30 79.32 -59.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -53.37 161.55 1.41 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 62.14 5.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -99.86 107.54 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.47 157.83 17.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.735 ' HA ' HD23 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -157.74 173.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 65.0 t60 -164.62 113.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.584 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -100.31 141.28 33.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 63' ' ' ARG . 19.4 m-20 -165.71 165.37 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.984 HG12 ' HB1' ' A' ' 133' ' ' ALA . 1.3 p -136.21 121.25 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.79 102.35 9.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.76 -80.77 0.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.6 23.08 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 6.8 pttt -140.32 141.95 35.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.744 HG21 HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -88.98 127.05 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -94.0 115.83 28.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 83' ' ' ARG . 11.3 mt -92.14 131.9 37.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.518 ' CD1' ' HD3' ' A' ' 36' ' ' PRO . 67.5 m-85 -134.89 123.38 23.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.671 ' CD1' HG23 ' A' ' 53' ' ' VAL . 70.0 m-85 -123.72 149.05 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -146.54 112.63 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.619 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -138.07 115.83 9.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.458 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.3 Cg_endo -74.91 -61.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 69' ' ' PRO . 16.6 t0 -39.19 -29.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 69' ' ' PRO . 11.5 mt-10 61.19 47.51 7.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.19 128.39 80.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.733 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.5 Cg_endo -74.93 -6.54 18.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 p -92.63 -33.2 14.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.0 t -92.12 -45.4 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 2.8 tttt -62.57 -42.6 99.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.93 -67.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 2.6 t80 -43.51 -46.18 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -46.75 -55.98 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -58.33 -40.18 93.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.446 1.092 . . . . 0.0 111.017 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 81' ' ' LEU . 4.3 tt -61.54 -42.09 98.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 0.738 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.77 -58.26 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -64.52 -23.76 67.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.537 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 4.4 mm-40 -54.62 -35.76 63.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.635 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -140.84 50.09 0.76 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 85' ' ' GLY . 66.4 mt -155.77 -45.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.42 113.86 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.14 -17.49 51.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.721 ' O ' HG13 ' A' ' 62' ' ' VAL . 44.7 mm-40 -68.44 -167.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.539 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 1.6 p -98.96 158.2 32.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.843 ' HG3' HG21 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.02 -8.83 20.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -93.19 -32.74 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -80.18 -35.17 36.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.744 HG21 HG21 ' A' ' 62' ' ' VAL . 60.5 t -69.46 -26.49 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.871 HD21 ' O ' ' A' ' 127' ' ' GLN . 10.6 mt -82.55 -33.35 28.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' HB3' ' N ' ' A' ' 1' ' ' MET . 2.9 mm-40 -69.46 -5.41 23.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 93' ' ' ALA . 75.4 t -80.33 127.56 75.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.22 41.72 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.33 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.66 24.79 3.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.568 ' HD1' HD11 ' A' ' 10' ' ' LEU . 4.7 p90 -54.06 -28.64 40.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.669 ' HB2' HD23 ' A' ' 107' ' ' LEU . 29.2 p90 -77.65 -28.84 51.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.453 ' HG2' ' CE1' ' A' ' 102' ' ' TYR . 8.2 mtp180 -47.39 128.46 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 72.13 77.17 0.56 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 7.6 m-85 -173.08 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 109' ' ' GLU . . . 154.04 -36.9 0.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.669 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -39.83 -54.25 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.805 ' HA ' HD11 ' A' ' 116' ' ' LEU . 2.5 tm-20 -55.52 -54.54 42.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 106' ' ' GLY . 2.4 mt-10 -40.11 -49.24 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -80.08 -54.69 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 112' ' ' THR . 54.6 m-85 -79.33 108.79 13.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 111' ' ' PHE . 7.3 p -41.04 162.67 0.11 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -5.83 17.3 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.43 1.752 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.97 -63.55 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -51.71 -35.91 44.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.805 HD11 ' HA ' ' A' ' 108' ' ' GLU . 11.5 mt -49.58 -48.98 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -39.98 -46.6 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.75 -51.7 49.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -49.33 -44.85 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.781 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -55.08 -49.02 72.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.546 ' HB2' ' OE1' ' A' ' 46' ' ' GLU . . . -54.39 -39.25 67.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -48.99 -53.18 21.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 127' ' ' GLN . 0.9 OUTLIER -65.95 -60.44 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' LEU . 17.0 mt -39.98 -35.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.762 ' HD3' HG22 ' A' ' 44' ' ' VAL . 8.1 mtt-85 -70.01 -55.83 8.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 130' ' ' VAL . 11.3 mt -53.76 -46.85 71.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.871 ' O ' HD21 ' A' ' 95' ' ' LEU . 26.4 mt-30 -56.84 -29.08 62.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.42 -40.49 29.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 51.0 mt-30 -65.7 -29.07 69.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 126' ' ' LEU . 58.0 t -65.48 -51.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 130' ' ' VAL . 20.9 mtp85 -36.34 -45.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -71.68 -46.45 58.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.984 ' HB1' HG12 ' A' ' 57' ' ' VAL . . . -54.07 -25.77 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 130' ' ' VAL . 17.8 mt -56.49 -39.84 73.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.7 p -101.7 -16.68 16.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.566 ' HG3' HG23 ' A' ' 2' ' ' VAL . 3.2 tpt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.506 0.193 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.848 HG13 HD23 ' A' ' 6' ' ' LEU . 45.7 t 67.21 141.58 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.505 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 173.57 14.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' CA ' ' OE1' ' A' ' 8' ' ' GLN . 18.4 Cg_endo -75.03 -55.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.8 OUTLIER -40.05 -43.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.848 HD23 HG13 ' A' ' 2' ' ' VAL . 16.2 tp -75.61 -68.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.0 tptm -39.48 -33.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.438 ' OE1' ' CA ' ' A' ' 4' ' ' PRO . 1.4 mp0 -63.58 -52.13 62.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -60.54 -58.65 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.68 HD11 ' HD1' ' A' ' 101' ' ' PHE . 71.1 mt -47.79 -50.81 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.25 -59.53 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 16' ' ' LEU . 41.3 tp -51.39 -43.25 61.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -51.84 -63.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -56.75 -29.73 62.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -76.87 -25.49 53.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . 27.8 mt -73.94 157.38 87.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.512 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -74.96 136.37 20.4 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 17' ' ' PRO . 6.7 tttt -34.78 -68.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -34.48 -56.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.608 HD22 ' OE1' ' A' ' 23' ' ' GLN . 24.1 mt -62.48 -46.8 86.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.486 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 14.0 mtt180 -46.81 -23.8 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -80.92 -38.0 28.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.061 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.608 ' OE1' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -71.39 -50.6 30.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.525 ' N ' ' CG ' ' A' ' 23' ' ' GLN . 3.4 p -46.12 -48.84 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.664 ' CD1' ' CE1' ' A' ' 110' ' ' PHE . 30.8 mt -51.96 -46.66 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.51 -48.08 73.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.4 mm-40 -50.64 -57.37 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 6.2 m-30 -41.11 -58.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.2 -36.34 40.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -68.88 -25.48 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' TYR . 1.2 mppp? -96.13 30.33 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 28' ' ' TYR . 55.0 t -119.44 100.02 49.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.67 41.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -75.01 156.12 42.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.4 Cg_endo -74.94 158.03 42.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.02 159.29 41.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.9 11.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.17 -32.91 5.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.47 HG21 ' HG2' ' A' ' 36' ' ' PRO . 21.5 t -64.13 129.6 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 5.4 tt0 -98.43 118.79 35.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.54 146.56 28.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -103.73 120.58 41.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -56.55 147.79 21.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.619 HG22 ' CD ' ' A' ' 125' ' ' ARG . 32.2 t -103.7 91.67 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.26 -36.32 79.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.622 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -21.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.3 t -104.32 158.39 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 108.325 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -71.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.441 ' OG1' HG11 ' A' ' 75' ' ' VAL . 70.4 p -64.45 157.2 73.59 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 77.48 3.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CE1' HG12 ' A' ' 53' ' ' VAL . 2.3 t80 -93.38 105.35 17.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -89.98 142.5 27.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.707 HG12 ' HD1' ' A' ' 66' ' ' PHE . 20.9 m -136.26 163.21 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 11.1 t60 -162.17 125.07 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.51 129.3 55.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 1.1 m-20 -136.95 174.49 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 93.6 t -126.34 102.34 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.07 101.99 13.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.4 -83.65 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.572 1.17 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.31 13.16 2.06 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 22.8 mtmt -124.54 160.35 28.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -95.57 126.62 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 9.7 mmt180 -89.57 121.08 31.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 64' ' ' LEU . 1.7 mp -102.09 137.45 40.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 36.9 m-85 -147.06 119.78 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.707 ' HD1' HG12 ' A' ' 53' ' ' VAL . 59.7 m-85 -124.55 145.3 49.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -138.67 114.04 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.599 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.701 HG11 ' CG2' ' A' ' 75' ' ' VAL . 3.5 t -125.8 116.69 24.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -63.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -21.5 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 66.97 25.39 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.957 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -42.5 126.39 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.484 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -75.02 -11.11 21.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 p -96.07 -28.14 14.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.957 HG22 ' HB3' ' A' ' 72' ' ' ALA . 3.2 m -87.83 -45.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 75' ' ' VAL . 2.2 tttt -63.41 -49.96 71.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -38.92 -63.57 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.81 ' CD2' HD22 ' A' ' 119' ' ' LEU . 6.9 t80 -47.04 -52.31 15.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.75 -37.91 14.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.12 -26.61 63.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD23 ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -77.61 -32.67 53.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 86' ' ' LEU . 86.6 mt -69.79 -49.2 55.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.492 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -74.75 -13.41 60.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.542 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 3.4 mm-40 -59.75 -41.74 91.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.578 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -130.92 48.99 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.718 HD21 HG21 ' A' ' 97' ' ' VAL . 68.4 mt -154.99 -43.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.649 ' HA ' HD13 ' A' ' 64' ' ' LEU . 1.1 tt0 -48.52 119.15 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.07 -19.47 34.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.75 ' O ' HG13 ' A' ' 62' ' ' VAL . 64.0 mm-40 -65.18 177.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 1.008 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -88.25 158.49 49.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.703 ' HA ' HG22 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -74.98 -12.84 21.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.783 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -84.99 -33.89 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.9 -35.08 29.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.008 HG13 ' O ' ' A' ' 90' ' ' SER . 11.6 m -66.35 -48.48 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 127' ' ' GLN . 6.0 mt -56.46 -36.74 69.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.88 -11.44 18.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.718 HG21 HD21 ' A' ' 86' ' ' LEU . 21.5 t -74.76 120.34 81.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.522 ' O ' HD13 ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.0 160.2 40.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.03 8.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 102' ' ' TYR . . . -132.66 22.84 4.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.68 ' HD1' HD11 ' A' ' 10' ' ' LEU . 14.0 p90 -50.8 -31.86 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.557 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 41.7 p90 -72.23 -25.51 61.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HG3' ' CA ' ' A' ' 100' ' ' GLY . 21.5 mtp180 -51.02 145.84 6.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 56.55 80.13 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.9 m-85 -178.47 -45.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 150.59 -36.89 0.91 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mt -50.7 -24.07 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 0.736 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.05 -39.89 71.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -9.84 58.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -91.33 -63.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -83.74 130.6 34.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.0 p -54.1 157.2 4.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.88 16.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mt -87.54 -49.92 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -37.43 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 102' ' ' TYR . 9.1 mt -50.74 -44.4 58.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -54.46 -33.42 59.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.64 -31.92 25.87 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.81 HD22 ' CD2' ' A' ' 78' ' ' PHE . 19.5 mt -67.11 -36.67 82.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.55 -49.95 75.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.49 49.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -49.62 -57.55 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.731 ' C ' HD23 ' A' ' 123' ' ' LEU . 3.2 tt -57.25 -61.46 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.9 mt -44.74 -57.24 3.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.619 ' CD ' HG22 ' A' ' 44' ' ' VAL . 68.3 mtt-85 -46.82 -67.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.629 HD21 ' HB ' ' A' ' 53' ' ' VAL . 2.9 mt -41.24 -56.45 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.643 ' CD ' HD21 ' A' ' 123' ' ' LEU . 88.5 mt-30 -51.38 -36.46 43.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -69.91 -20.88 63.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 54' ' ' HIS . 8.1 mt-30 -87.49 -11.03 50.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' CB ' ' A' ' 91' ' ' PRO . 78.0 t -95.59 -49.01 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -46.83 -41.88 16.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.917 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -69.26 -32.88 72.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.509 ' N ' ' CD ' ' A' ' 132' ' ' LYS . . . -68.14 -30.63 69.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 91' ' ' PRO . 15.4 mt -62.47 -42.64 99.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.917 HG22 ' O ' ' A' ' 132' ' ' LYS . 15.0 t -71.55 -6.57 41.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.518 0.199 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.51 HG13 HD12 ' A' ' 6' ' ' LEU . 23.3 t -46.66 141.13 5.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.49 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.06 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.545 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -41.96 -37.6 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.51 HD12 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -80.24 -64.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -41.77 -32.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -47.57 81.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.764 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -65.17 -64.73 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.637 HD11 ' HD1' ' A' ' 101' ' ' PHE . 70.9 mt -40.95 -44.95 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -72.36 -65.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LEU . 28.8 tp -41.66 -45.76 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 10.2 t80 -57.8 -62.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -55.83 -19.11 10.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -89.11 -32.6 17.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.444 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 34.6 mt -70.55 160.32 81.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.671 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.01 134.73 18.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -33.96 -68.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 18' ' ' LYS . 2.1 pt-20 -34.92 -57.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.671 HD12 ' CG ' ' A' ' 17' ' ' PRO . 18.2 mt -57.37 -55.78 30.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.9 mtt180 -38.81 -31.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -64.52 -53.9 40.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.986 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.9 pt20 -66.14 -39.91 90.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -50.25 -64.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.629 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 78.7 mt -44.08 -39.83 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 26' ' ' LEU . 1.3 mm? -61.02 -56.09 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.1 -53.8 24.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -41.04 -44.7 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -64.3 -47.93 77.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.22 -19.97 16.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.05 24.51 3.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' CE ' ' A' ' 76' ' ' LYS . 58.0 t -116.17 100.99 53.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.51 36.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.1 Cg_endo -75.01 154.74 42.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -74.99 148.55 35.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.97 153.25 41.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.02 55.59 4.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.2 36.18 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 78.9 t -138.8 124.6 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -87.64 113.74 23.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mp -100.93 144.09 30.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -100.92 143.38 31.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -81.13 130.78 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.435 HG22 ' HD3' ' A' ' 125' ' ' ARG . 48.6 t -93.63 91.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -54.64 -39.87 68.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.569 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -43.44 -31.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.2 t -100.25 124.87 46.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.338 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -55.82 -33.12 64.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.0 p -77.34 155.88 81.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.611 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.02 66.99 6.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.799 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -91.05 141.76 28.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' ' O ' ' A' ' 50' ' ' PRO . 8.2 m-85 -137.82 140.59 40.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.118 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.9 p -143.92 155.28 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -152.84 134.02 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.573 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB1' HG22 ' A' ' 130' ' ' VAL . . . -117.52 151.33 37.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 39.5 m-20 -158.9 166.89 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.522 ' CG2' ' HB1' ' A' ' 133' ' ' ALA . 96.9 t -116.17 107.39 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.53 123.27 37.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.85 46.52 94.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.25 23.36 40.47 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 20.4 mttm -125.52 177.53 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 89' ' ' GLU . 90.4 t -110.42 124.52 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.578 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 3.5 mmt85 -103.55 108.77 20.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.54 150.95 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 65.2 m-85 -153.32 120.24 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.427 ' CD1' HG23 ' A' ' 53' ' ' VAL . 92.2 m-85 -117.85 165.79 13.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -151.76 115.18 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.604 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.69 HG21 ' HD2' ' A' ' 76' ' ' LYS . 95.7 t -127.98 100.28 24.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -60.46 -10.16 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' CA ' HG12 ' A' ' 68' ' ' VAL . 4.6 mt-10 66.28 14.73 9.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.47 119.98 4.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -75.02 -52.91 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.764 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 p -42.58 -28.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' PRO . 85.9 t -94.04 -36.42 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.69 ' HD2' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -60.66 -50.59 72.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 25' ' ' LEU . . . -46.85 -62.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 10.5 t80 -52.82 -56.8 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.34 -46.53 9.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 84' ' ' GLU . . . -68.19 -26.18 74.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -68.12 -41.12 82.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 78' ' ' PHE . 3.5 mm? -55.58 -59.19 5.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -62.6 -37.95 88.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.36 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.764 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -35.81 -36.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.558 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -147.88 54.35 0.52 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 85' ' ' GLY . 77.7 mt -156.27 -45.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.427 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 4.8 tt0 -55.65 115.53 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.61 -15.47 59.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 62' ' ' VAL . 52.8 mm-40 -68.65 -173.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 p -94.15 158.46 35.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.961 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.99 -9.18 20.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.62 -39.03 10.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.58 -32.23 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.449 HG22 HD22 ' A' ' 86' ' ' LEU . 3.4 t -68.51 -44.35 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.961 HD23 ' O ' ' A' ' 91' ' ' PRO . 3.9 mm? -58.17 -36.2 72.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.53 -27.56 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.492 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 25.6 t -63.64 112.77 7.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.407 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.0 164.59 33.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HA ' HD23 ' A' ' 123' ' ' LEU . 18.6 Cg_endo -74.92 -0.42 9.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -129.32 24.47 4.7 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.637 ' HD1' HD11 ' A' ' 10' ' ' LEU . 3.1 p90 -58.95 -23.45 61.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.625 ' HB2' HD23 ' A' ' 107' ' ' LEU . 21.7 p90 -81.68 -25.35 35.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -51.46 134.44 28.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 63.12 79.18 0.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 4.8 m-85 -175.6 -46.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 159.61 -43.25 0.45 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -47.24 -43.27 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.734 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.39 -57.21 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.98 -47.17 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.98 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.629 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 56.7 m-85 -85.46 150.48 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -71.16 162.95 69.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -10.0 20.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -89.23 -54.52 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -31.15 65.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' GLY . 20.1 mt -67.74 -47.0 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' LEU . 8.3 mtm180 -38.78 -30.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -94.73 -55.87 1.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.591 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.2 mp -41.7 -36.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 121' ' ' ALA . 21.4 mm-40 -69.0 -47.76 64.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -39.34 -49.2 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.97 -70.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' ' 97' ' ' VAL . 60.9 tp -43.65 -57.81 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 121' ' ' ALA . 13.1 mt -45.76 -55.37 6.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.435 ' HD3' HG22 ' A' ' 44' ' ' VAL . 3.1 mtt85 -56.46 -59.55 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.118 HD21 ' CG2' ' A' ' 53' ' ' VAL . 3.7 mt -47.36 -50.18 22.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.563 ' HB3' HD13 ' A' ' 95' ' ' LEU . 49.6 mt-30 -60.97 -26.51 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -86.27 -15.72 39.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -98.64 -25.12 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 126' ' ' LEU . 33.2 t -80.82 -52.38 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.807 ' HG3' HD11 ' A' ' 95' ' ' LEU . 22.2 mtp180 -35.62 -33.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' VAL . 2.3 mtpp -66.07 -55.87 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.522 ' HB1' ' CG2' ' A' ' 57' ' ' VAL . . . -43.89 -47.35 8.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' A' ' 91' ' ' PRO . 8.1 mp -43.46 -37.9 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' LYS . 13.9 t -117.64 28.61 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.846 ' O ' HG22 ' A' ' 2' ' ' VAL . 1.4 mtm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.496 0.189 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.846 HG22 ' O ' ' A' ' 1' ' ' MET . 3.7 m 54.43 161.37 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.424 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.96 176.14 10.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 3' ' ' PRO . 18.1 Cg_endo -75.05 -56.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' OE2' ' A' ' 84' ' ' GLU . 4.0 mtpt -38.99 -35.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -83.71 -64.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 7.7 tptt -42.75 -33.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -67.63 -49.25 63.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -55.82 -58.68 6.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 102' ' ' TYR . 36.6 mt -48.35 -58.06 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.29 -62.24 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.0 tp -46.71 -59.46 3.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 22.6 t80 -38.93 -63.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.24 -33.63 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.2 t -71.28 -22.15 62.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 12' ' ' LEU . 44.3 mt -79.29 159.86 71.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.484 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.1 Cg_endo -75.1 135.44 18.91 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -35.21 -68.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.364 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 12.6 pt-20 -36.03 -46.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD12 ' CG ' ' A' ' 17' ' ' PRO . 11.4 mt -70.75 -52.63 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -38.73 -50.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.486 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -52.37 -48.24 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.98 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -65.41 -39.86 92.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 28' ' ' TYR . 39.9 t -52.68 -63.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' HG ' ' CE1' ' A' ' 13' ' ' PHE . 71.6 mt -42.39 -41.5 2.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 22' ' ' SER . 3.8 mm? -65.07 -56.76 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.1 mt-10 -45.78 -52.43 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.507 ' CE1' HG13 ' A' ' 24' ' ' VAL . 3.4 m-30 -43.17 -57.83 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -51.22 -42.92 61.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -59.07 -25.77 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.87 39.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 28' ' ' TYR . 87.5 t -128.55 98.13 26.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.31 41.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.2 Cg_endo -74.99 155.69 42.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.04 153.84 41.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.1 Cg_endo -75.03 163.99 34.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.35 13.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.91 -39.58 2.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.577 HG21 ' HG2' ' A' ' 36' ' ' PRO . 60.0 t -57.41 122.38 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.456 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 15.6 tt0 -90.84 126.68 36.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.577 HD23 ' CB ' ' A' ' 54' ' ' HIS . 1.4 mp -117.41 144.46 44.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -104.87 133.85 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 50' ' ' PRO . 15.8 ttt180 -72.02 148.78 45.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 121' ' ' ALA . 43.2 t -95.91 90.65 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -56.31 -29.41 61.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -62.8 -17.65 61.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.3 t -109.37 131.48 55.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.428 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 1.2 mt-30 -58.31 -68.22 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -52.09 160.49 1.19 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 43' ' ' ARG . 18.2 Cg_endo -75.0 110.32 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 8.4 t80 -136.94 135.88 38.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -131.71 132.69 44.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.957 ' HB ' HD21 ' A' ' 126' ' ' LEU . 22.6 m -128.67 159.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.577 ' CB ' HD23 ' A' ' 41' ' ' LEU . 69.1 t60 -164.29 127.43 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.604 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.33 152.85 36.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -159.15 163.1 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 90.8 t -117.64 107.43 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -102.7 102.53 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.44 -79.16 1.94 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.29 23.67 0.45 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 3.1 mttt -129.0 176.62 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 89' ' ' GLU . 26.4 t -105.64 137.71 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 11.8 mmt-85 -118.11 102.72 9.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.742 ' CD2' HD13 ' A' ' 126' ' ' LEU . 7.7 mt -92.07 149.92 21.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 60.1 m-85 -152.95 119.91 5.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.717 ' CD2' HG12 ' A' ' 53' ' ' VAL . 78.0 m-85 -121.54 154.13 37.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -142.91 122.64 13.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.635 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 71' ' ' GLU . 45.2 t -128.22 111.23 19.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.94 -70.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -39.67 -30.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' A' ' 69' ' ' PRO . 0.4 OUTLIER 70.15 58.16 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.937 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -84.28 134.18 43.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.95 -29.01 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -87.37 -15.23 38.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.937 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 58.5 t -94.23 -42.39 12.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 3.8 tttt -71.63 -43.92 65.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -41.44 -66.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.945 ' CG ' HD13 ' A' ' 119' ' ' LEU . 8.8 t80 -50.47 -59.76 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . . . -41.66 -47.09 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 84' ' ' GLU . . . -65.4 -32.62 84.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -60.62 -33.46 72.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 86' ' ' LEU . 2.6 mm? -68.45 -51.02 48.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HG2' ' CB ' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -72.61 -12.61 61.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.622 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -66.14 -36.12 82.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.61 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -141.19 56.22 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 85' ' ' GLY . 63.6 mt -156.09 -48.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.467 ' CB ' ' HG2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -54.25 124.37 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.48 -10.66 74.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.96 ' O ' HG23 ' A' ' 62' ' ' VAL . 72.8 mm-40 -76.93 -174.08 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -92.62 161.84 31.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.011 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.895 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.04 -11.26 21.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -95.04 -37.08 11.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 96' ' ' GLU . . . -75.87 -13.8 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.466 HG21 HG11 ' A' ' 62' ' ' VAL . 6.1 t -90.17 -36.22 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.895 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.1 mm? -73.49 -37.89 65.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 11.9 pt-20 -57.87 -16.41 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.843 ' HA ' HG12 ' A' ' 2' ' ' VAL . 4.1 t -76.44 120.16 80.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 166.74 28.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.526 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -75.02 -0.0 9.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.94 36.1 2.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 7.8 p90 -64.41 -25.87 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.786 ' HB2' HD23 ' A' ' 107' ' ' LEU . 39.8 p90 -80.44 -9.79 59.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -52.51 146.45 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 53.25 76.54 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 11.7 m-85 -171.14 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 108' ' ' GLU . . . 163.29 -45.77 0.33 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.786 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -39.51 -30.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 116' ' ' LEU . 1.2 mt-10 -54.76 -59.77 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.249 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -32.62 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.404 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -57.58 -48.43 79.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 115' ' ' ARG . 83.4 m-85 -114.07 16.56 18.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.062 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.432 ' O ' HD12 ' A' ' 116' ' ' LEU . 3.0 p 54.16 166.71 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -9.54 20.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -88.06 -69.17 0.71 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -42.97 -26.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.666 HD13 ' HE1' ' A' ' 102' ' ' TYR . 48.7 mt -76.13 -55.73 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 116' ' ' LEU . 18.8 mtt180 -38.36 -42.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -76.51 -41.3 25.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.945 HD13 ' CG ' ' A' ' 78' ' ' PHE . 30.7 mt -61.58 -48.04 82.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 119' ' ' LEU . 53.3 mt-10 -38.2 -47.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 46' ' ' GLU . . . -44.35 -48.89 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.464 ' HB2' ' HE2' ' A' ' 51' ' ' PHE . . . -40.32 -65.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.56 HD22 ' HG3' ' A' ' 127' ' ' GLN . 0.7 OUTLIER -55.67 -61.77 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 99' ' ' PRO . 31.7 mt -38.91 -43.96 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 128' ' ' ALA . 8.5 mtp85 -65.86 -62.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.957 HD21 ' HB ' ' A' ' 53' ' ' VAL . 49.2 mt -42.34 -55.86 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.674 ' HB3' HD13 ' A' ' 95' ' ' LEU . 23.2 mt-30 -45.53 -37.54 5.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -72.77 -39.93 66.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.462 ' OE1' ' ND1' ' A' ' 54' ' ' HIS . 32.5 mt-30 -63.85 -31.46 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.52 ' HB ' HD21 ' A' ' 95' ' ' LEU . 60.7 t -78.3 -58.72 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.755 ' HG3' HD11 ' A' ' 95' ' ' LEU . 6.2 mtt180 -41.18 -36.72 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.871 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -63.12 -46.52 86.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -52.06 -48.68 64.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 91' ' ' PRO . 8.3 mp -43.75 -41.3 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.871 HG22 ' O ' ' A' ' 132' ' ' LYS . 14.8 t -89.6 -27.02 20.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 132' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.497 0.189 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.718 ' CG1' HD23 ' A' ' 6' ' ' LEU . 44.9 t 61.93 141.78 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.01 173.13 15.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -74.98 -55.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HE2' ' N ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -38.44 -37.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.718 HD23 ' CG1' ' A' ' 2' ' ' VAL . 11.1 tp -86.61 -61.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -41.57 -33.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -49.63 71.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -63.54 -65.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.644 HD11 ' HD1' ' A' ' 101' ' ' PHE . 60.9 mt -40.63 -53.69 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.39 -65.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' LEU . 15.9 tp -41.68 -48.26 4.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -55.06 -61.46 2.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -51.46 -30.66 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 t -78.94 -36.97 40.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' LEU . 21.8 mt -60.53 154.86 52.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.03 137.43 21.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 17' ' ' PRO . 4.6 ttmm -34.38 -69.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -34.09 -55.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ARG . 14.8 mt -63.54 -54.55 34.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' LEU . 8.1 mtt180 -35.08 -38.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 23' ' ' GLN . 26.4 p -65.33 -64.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' N ' ' OG ' ' A' ' 22' ' ' SER . 2.1 mm100 -47.22 -32.25 4.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 20' ' ' LEU . 93.7 t -62.32 -66.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 mt -40.34 -36.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.1 mt -70.19 -53.34 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -50.34 -44.64 54.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 4.2 m-30 -52.84 -62.01 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -55.4 -32.37 62.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -65.33 -32.57 74.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -81.66 -32.66 31.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' TYR . 55.0 t -46.64 104.44 0.41 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 157.0 42.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -74.96 155.53 43.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.5 Cg_endo -74.96 150.38 38.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 111.035 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.617 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 153.46 41.82 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.78 5.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.538 1.809 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.16 -20.73 9.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.617 HG21 ' HG2' ' A' ' 36' ' ' PRO . 40.1 t -79.22 123.87 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -89.31 125.82 35.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 65' ' ' TYR . 2.1 mp -111.2 147.26 35.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.56 130.6 52.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.86 147.17 53.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 51' ' ' PHE . 21.6 t -107.15 91.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -54.12 -33.44 57.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.611 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.99 -29.98 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.1 t -97.27 134.46 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.25 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -52.7 -47.54 67.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.4 p -77.4 159.51 77.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 75.26 3.75 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' VAL . 23.6 t80 -89.31 124.59 34.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -111.69 127.51 55.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.565 HG12 ' HD1' ' A' ' 66' ' ' PHE . 15.6 m -124.74 162.22 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -161.91 116.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.595 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -111.53 132.93 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 5.1 m-20 -143.63 167.54 22.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.41 111.21 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -105.87 102.42 11.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.234 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.73 -75.14 2.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.64 22.5 0.41 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -134.48 154.53 51.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -96.82 126.03 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.467 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -96.32 107.11 19.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 83' ' ' ARG . 27.8 mt -82.49 136.39 34.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.557 ' HB3' HD21 ' A' ' 41' ' ' LEU . 55.9 m-85 -136.41 139.67 42.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.565 ' HD1' HG12 ' A' ' 53' ' ' VAL . 71.2 m-85 -147.86 142.33 26.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -130.53 112.17 12.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.6 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.41 112.65 37.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -65.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.85 ' OD2' ' HB2' ' A' ' 72' ' ' ALA . 9.4 p-10 -50.06 -25.02 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 64.44 52.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HB2' ' OD2' ' A' ' 70' ' ' ASP . . . -77.1 133.35 69.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.65 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.1 Cg_endo -75.06 -6.43 18.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.73 -32.2 12.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' HA ' HD21 ' A' ' 119' ' ' LEU . 78.8 t -88.12 -43.46 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.667 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 8.1 tttt -66.35 -46.52 76.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -41.94 -58.68 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 119' ' ' LEU . 2.5 t80 -51.33 -53.73 33.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.444 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -45.43 -39.1 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.16 -35.8 47.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.744 ' O ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -68.83 -29.09 67.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.36 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 86.9 mt -70.1 -59.91 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.745 ' HA ' HD12 ' A' ' 64' ' ' LEU . 2.2 ptt85 -60.16 -33.5 72.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.576 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 2.8 mm-40 -36.69 -55.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.683 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -127.07 51.23 0.86 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 85' ' ' GLY . 57.6 mt -156.02 -45.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tt0 -65.19 118.59 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.05 -25.34 28.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 62' ' ' VAL . 74.6 mm-40 -71.81 174.61 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.992 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.6 m -78.54 159.28 74.85 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.969 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.02 -6.65 18.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.15 -35.5 18.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 96' ' ' GLU . . . -81.85 -26.03 34.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.992 HG13 ' O ' ' A' ' 90' ' ' SER . 4.4 m -75.93 -43.75 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.969 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.2 mm? -62.02 -38.35 88.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 1.8 pt-20 -58.06 -18.66 26.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 86' ' ' LEU . 38.7 t -72.03 116.12 45.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.528 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.98 174.3 13.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.455 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.4 Cg_endo -75.0 -2.41 12.51 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.81 55.07 0.6 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.653 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 8.1 p90 -75.84 -33.92 60.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 48.6 p90 -69.5 -28.08 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -42.71 128.03 4.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 73.6 77.34 0.62 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 3.5 m-85 -175.69 -47.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 0.739 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 154.46 -39.09 0.66 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.502 HD13 HD21 ' A' ' 81' ' ' LEU . 10.6 mt -49.09 -56.03 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -40.17 -40.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -77.94 -57.87 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.72 -66.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -81.89 141.87 32.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 112' ' ' THR . 40.1 p -60.99 156.24 49.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -19.0 18.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.62 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 118' ' ' GLY . 8.1 mtm-85 -62.71 -43.12 99.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.43 HD22 ' CZ ' ' A' ' 102' ' ' TYR . 6.4 mt -43.48 -47.32 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -53.16 -39.42 63.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -74.5 -39.37 42.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 38.1 mt -62.21 -58.01 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 123' ' ' LEU . 12.8 mt-10 -43.3 -50.52 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -34.14 -46.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.597 ' C ' HD12 ' A' ' 126' ' ' LEU . . . -42.23 -53.93 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.528 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 15.2 tp -60.06 -45.29 93.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.5 mm? -56.0 -51.71 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 18.3 mtp85 -64.02 -59.88 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.597 HD12 ' C ' ' A' ' 122' ' ' ALA . 4.7 mt -44.66 -54.05 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 95' ' ' LEU . 57.2 mt-30 -53.85 -33.94 57.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -72.63 -28.09 62.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.612 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 95.4 mt-30 -80.81 -23.58 39.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 126' ' ' LEU . 61.5 t -82.65 -62.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.783 ' HG3' HD11 ' A' ' 95' ' ' LEU . 2.5 mtt180 -38.4 -38.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 133' ' ' ALA . 2.4 pttt -71.01 -50.32 35.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 132' ' ' LYS . . . -51.8 -39.01 57.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 91' ' ' PRO . 14.7 mt -54.02 -42.01 68.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.2 t -107.23 19.15 20.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 132' ' ' LYS . 54.8 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HG2' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.497 0.189 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.517 ' CG1' HD23 ' A' ' 6' ' ' LEU . 12.4 t -119.72 140.93 30.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.99 168.69 24.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.98 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -39.84 -46.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.591 HD11 HD21 ' A' ' 81' ' ' LEU . 14.8 tp -78.58 -58.26 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -41.4 -33.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -48.21 66.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -64.02 -51.41 64.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.675 HD13 ' CE2' ' A' ' 105' ' ' TYR . 40.7 mt -54.07 -62.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -51.39 -48.97 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -53.53 -68.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.906 ' N ' HD13 ' A' ' 12' ' ' LEU . 36.4 t80 -40.33 -61.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -46.13 -33.39 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' LEU . 5.7 t -77.74 -38.54 46.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.551 HD13 HG21 ' A' ' 24' ' ' VAL . 16.4 mt -55.2 154.51 10.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.516 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.3 Cg_endo -74.99 134.53 17.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 17' ' ' PRO . 9.0 tttm -35.36 -68.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.5 pt-20 -35.03 -48.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.516 HD12 ' CG ' ' A' ' 17' ' ' PRO . 15.4 mt -69.49 -51.92 31.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.6 mtm180 -43.46 -35.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.38 -51.52 69.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -69.89 -34.42 73.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG21 HD13 ' A' ' 16' ' ' LEU . 67.7 t -55.63 -69.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 82.7 mt -41.79 -40.91 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.55 -52.84 62.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.9 mt-10 -49.91 -57.77 6.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.575 ' HA ' ' HZ3' ' A' ' 31' ' ' LYS . 3.0 m-85 -35.2 -57.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -51.06 -45.5 61.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -62.41 -25.99 68.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.575 ' HZ3' ' HA ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -79.59 -33.53 41.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.59 HG22 ' HA2' ' A' ' 80' ' ' GLY . 79.2 t -52.23 107.24 0.79 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.03 161.46 38.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.1 Cg_endo -75.02 153.49 41.7 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.2 Cg_endo -74.98 142.45 27.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.607 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 163.36 35.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.28 18.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.81 -25.03 27.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.607 HG21 ' HG2' ' A' ' 36' ' ' PRO . 54.5 t -68.72 130.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.7 116.34 32.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.69 145.01 32.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -108.1 136.24 48.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.91 146.31 54.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.741 HG22 ' CD ' ' A' ' 125' ' ' ARG . 70.5 t -103.03 91.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -43.59 68.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.605 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.535 ' CD ' ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -43.64 -30.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.8 t -98.72 131.15 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.294 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -53.61 -46.7 70.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.0 p -72.93 157.59 88.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 67.02 5.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' VAL . 13.5 t80 -88.29 119.5 28.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -100.35 167.02 10.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.893 HG23 ' CD2' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -160.43 170.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 39' ' ' VAL . 61.0 t60 -165.39 157.29 14.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -147.29 130.8 16.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 79.8 m-20 -148.71 161.33 41.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.449 HG23 ' CB ' ' A' ' 133' ' ' ALA . 94.6 t -121.1 105.81 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -97.61 102.51 14.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.95 -78.26 1.71 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.84 20.46 0.78 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 20.2 mttt -132.07 150.78 52.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -92.43 121.42 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 7.5 mmt180 -93.49 103.07 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 86' ' ' LEU . 59.6 mt -86.43 146.29 26.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 69.0 m-85 -147.94 151.18 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.893 ' CD2' HG23 ' A' ' 53' ' ' VAL . 67.7 m-85 -152.85 150.48 29.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -135.33 112.38 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.581 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.645 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.2 t -113.1 110.62 51.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -75.01 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.57 -27.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' PRO . 3.0 mt-10 70.66 35.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.04 131.29 95.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.634 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -74.97 -6.08 17.62 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.9 p -95.74 -41.97 8.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.87 -41.88 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.645 ' HG3' HG21 ' A' ' 68' ' ' VAL . 2.7 tttt -67.18 -42.15 84.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.76 -66.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.751 ' CD2' HD22 ' A' ' 119' ' ' LEU . 1.2 t80 -50.9 -53.39 33.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.33 -33.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.59 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -79.0 -44.01 10.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.053 HD22 ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -62.02 -29.63 70.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.735 ' N ' HD13 ' A' ' 81' ' ' LEU . 78.3 mt -66.77 -66.36 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 33' ' ' PRO . 5.8 ptt85 -60.54 -19.94 58.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 4.8 mm-40 -54.18 -57.9 9.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.618 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -120.69 52.07 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 85' ' ' GLY . 64.9 mt -155.5 -46.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.26 117.99 6.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.44 -18.84 54.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.659 ' O ' HG13 ' A' ' 62' ' ' VAL . 25.3 mm-40 -72.23 -171.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.637 ' O ' HG23 ' A' ' 94' ' ' VAL . 6.3 p -95.13 157.87 35.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 130' ' ' VAL . 18.4 Cg_endo -74.94 -18.92 18.48 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.478 1.778 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.43 -36.25 63.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.639 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -83.97 -36.62 23.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 62' ' ' VAL . 58.8 t -66.64 -18.39 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 127' ' ' GLN . 9.1 mt -93.95 -39.65 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.62 -10.57 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 93' ' ' ALA . 28.3 t -77.71 127.98 80.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.06 168.46 24.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -4.53 15.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -136.99 55.18 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 6.6 p90 -80.56 -14.72 57.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.789 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.902 ' CE1' HD22 ' A' ' 116' ' ' LEU . 52.6 p90 -88.93 -16.04 32.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -53.09 127.21 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.82 76.89 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.675 ' CE2' HD13 ' A' ' 10' ' ' LEU . 6.1 m-85 -167.36 -49.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.781 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.84 -53.05 0.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.57 -47.45 63.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.05 -34.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.32 -60.04 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -41.41 -68.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -69.12 143.37 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.9 p -64.82 161.26 47.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -7.3 19.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -88.93 -65.33 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 118' ' ' GLY . 16.8 mtt180 -52.41 -40.69 62.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.902 HD22 ' CE1' ' A' ' 102' ' ' TYR . 9.0 mt -44.62 -41.72 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -52.93 -42.37 65.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -69.02 -28.49 72.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.751 HD22 ' CD2' ' A' ' 78' ' ' PHE . 33.4 mt -66.32 -53.24 38.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 0.802 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.88 -46.92 64.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.678 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -46.27 -35.2 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.859 ' O ' HD22 ' A' ' 126' ' ' LEU . . . -56.76 -73.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.612 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.6 tm? -42.26 -53.23 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 121' ' ' ALA . 10.5 mt -42.8 -54.36 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.741 ' CD ' HG22 ' A' ' 44' ' ' VAL . 18.6 mtt-85 -50.82 -71.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -38.18 -63.88 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.658 ' O ' HD21 ' A' ' 95' ' ' LEU . 31.6 mt-30 -39.98 -42.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -68.16 -43.13 78.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.694 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 91.9 mt-30 -66.72 -56.04 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.573 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 97.2 t -43.29 -48.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.86 ' O ' HG22 ' A' ' 135' ' ' THR . 10.7 mtt-85 -41.62 -48.57 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -64.66 -39.05 93.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -68.16 -30.59 69.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.832 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -83.28 -50.48 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.86 HG22 ' O ' ' A' ' 131' ' ' ARG . 13.0 t -86.82 20.96 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 132' ' ' LYS . 12.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.466 0.174 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.579 HG13 HD12 ' A' ' 6' ' ' LEU . 21.7 t 64.85 141.29 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.03 176.21 10.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLN . 18.2 Cg_endo -74.99 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' O ' ' OE2' ' A' ' 84' ' ' GLU . 2.8 mttt -50.55 -42.05 54.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.579 HD12 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -75.74 -62.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -29.14 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' PRO . 16.8 mt-30 -65.82 -50.86 63.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.755 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -57.34 -53.11 61.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 53.2 mt -50.61 -70.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -48.33 -49.11 35.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' LEU . 41.4 tp -55.17 -47.23 75.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 1.5 t80 -51.96 -61.99 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -60.02 -15.71 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -94.12 -17.98 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' LEU . 34.0 mt -81.06 158.37 70.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.594 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -74.98 136.23 20.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.0 OUTLIER -36.04 -69.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.2 pt-20 -35.96 -44.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.594 HD12 ' CG ' ' A' ' 17' ' ' PRO . 14.4 mt -74.18 -49.15 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' LYS . 31.1 mtt180 -38.23 -30.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.4 t -66.28 -52.54 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' LEU . 6.0 pt20 -61.92 -37.74 85.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 28' ' ' TYR . 70.1 t -45.44 -46.81 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.744 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 86.0 mt -63.55 -48.33 77.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -57.48 -56.21 24.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 28' ' ' TYR . 2.1 mt-10 -41.97 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.666 ' O ' HG23 ' A' ' 32' ' ' VAL . 11.1 m-85 -35.65 -62.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.14 -57.57 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.77 -27.95 8.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -92.23 36.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 28' ' ' TYR . 39.9 t -138.07 92.19 12.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.54 41.99 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.569 1.826 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.61 41.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 160.68 39.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.929 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.01 170.35 20.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.19 20.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.37 55.42 0.76 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.929 HG11 ' HD2' ' A' ' 36' ' ' PRO . 3.4 p -161.06 150.47 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -126.27 112.61 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -80.92 168.11 19.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.377 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 125' ' ' ARG . 29.5 tt0 -115.71 100.54 8.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' NH1' ' CE1' ' A' ' 45' ' ' HIS . 8.3 ttp85 -49.35 127.55 15.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.763 HG22 ' HD3' ' A' ' 125' ' ' ARG . 59.8 t -90.03 100.8 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.429 ' CE1' ' NH1' ' A' ' 43' ' ' ARG . 14.6 m-70 -62.5 -37.25 85.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -37.96 17.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.64 114.39 26.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -39.52 -57.38 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -59.36 155.11 38.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 70.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -91.75 105.4 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.517 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 5.2 m-85 -96.2 140.68 30.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.82 ' HB ' HD21 ' A' ' 126' ' ' LEU . 17.2 m -136.13 160.81 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.502 ' HB3' ' CB ' ' A' ' 65' ' ' TYR . 22.4 t-80 -158.2 128.26 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' ARG . . . -127.31 128.05 45.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -130.16 176.0 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 79.3 t -132.94 100.36 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -96.66 101.66 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.54 -89.57 1.54 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.59 7.33 3.05 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 9.1 ptpt -111.77 174.25 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.678 HG21 HG21 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -109.87 125.17 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -87.18 122.46 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.789 HD13 ' HA ' ' A' ' 87' ' ' GLU . 4.7 mp -97.27 130.79 44.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.502 ' CB ' ' HB3' ' A' ' 54' ' ' HIS . 22.4 m-85 -142.42 119.89 11.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.704 ' HD1' HG12 ' A' ' 53' ' ' VAL . 62.4 m-85 -124.53 126.3 45.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.542 ' N ' HD12 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -110.76 123.53 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.1 t -133.95 112.82 12.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -63.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -33.22 72.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.04 67.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -86.18 132.68 42.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.4 Cg_endo -74.95 -5.65 17.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.39 -39.87 9.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.1 t -81.5 -42.57 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 32' ' ' VAL . 19.0 tttt -63.74 -38.11 89.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -41.33 -68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -45.92 -52.07 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -43.9 -47.44 8.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.524 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -66.75 -44.66 88.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.586 ' O ' HD12 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -59.03 -24.09 62.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.69 ' O ' HD12 ' A' ' 86' ' ' LEU . 42.3 mt -82.5 -45.76 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.501 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 4.5 ttt180 -74.09 -20.64 60.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.755 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -58.0 -38.46 76.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.488 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -133.2 55.66 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 82' ' ' LEU . 93.2 mt -156.39 -43.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.789 ' HA ' HD13 ' A' ' 64' ' ' LEU . 7.4 tp10 -46.5 115.73 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 89' ' ' GLU . . . 95.01 -27.91 13.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.646 ' O ' HG13 ' A' ' 62' ' ' VAL . 6.6 mm-40 -49.51 -177.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.508 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 2.0 p -100.76 161.52 23.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.881 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.06 -7.56 19.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.95 -38.47 16.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.846 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -84.75 -36.72 21.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.678 HG21 HG21 ' A' ' 62' ' ' VAL . 54.6 t -68.05 -17.18 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 91' ' ' PRO . 8.4 mt -94.1 -43.76 8.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -58.45 -18.01 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 93' ' ' ALA . 74.4 t -60.94 121.88 65.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 160.81 39.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.799 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -74.97 -2.13 12.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -125.58 33.55 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.63 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 22.2 p90 -65.01 -15.27 62.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.904 ' CZ ' HD12 ' A' ' 116' ' ' LEU . 38.3 p90 -96.81 -26.81 14.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.92 126.16 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 72.16 77.65 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 6.5 m-85 -171.74 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 109' ' ' GLU . . . 153.27 -36.39 0.76 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.769 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -39.31 -61.0 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -50.67 -39.93 52.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 106' ' ' GLY . 1.6 tt0 -57.02 -36.61 70.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -90.98 -45.17 8.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.901 ' HB2' HD21 ' A' ' 116' ' ' LEU . 62.7 m-85 -95.89 123.3 39.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.716 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -50.58 155.58 1.82 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 112' ' ' THR . 18.2 Cg_endo -74.97 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.97 -43.98 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -68.43 -38.5 81.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.904 HD12 ' CZ ' ' A' ' 102' ' ' TYR . 3.7 mm? -55.11 -50.01 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' LEU . 14.9 mtt180 -38.04 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' LEU . . . -91.71 -56.05 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.627 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 2.0 mp -38.85 -43.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.612 ' O ' HD22 ' A' ' 124' ' ' LEU . 36.4 mt-10 -55.52 -56.22 22.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -38.67 -35.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -52.28 -56.47 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.504 HD21 HG12 ' A' ' 97' ' ' VAL . 13.7 tp -59.84 -61.18 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 99' ' ' PRO . 1.4 mm? -45.47 -51.35 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.763 ' HD3' HG22 ' A' ' 44' ' ' VAL . 26.8 mtt-85 -53.87 -64.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.82 HD21 ' HB ' ' A' ' 53' ' ' VAL . 5.5 mt -48.41 -49.61 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.695 ' O ' HD21 ' A' ' 95' ' ' LEU . 78.5 mt-30 -55.82 -28.35 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.83 -25.49 35.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -77.77 -36.58 50.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 133' ' ' ALA . 99.3 t -65.63 -45.41 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -47.59 -25.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.722 ' O ' HG22 ' A' ' 135' ' ' THR . 19.8 mmmt -81.84 -37.17 27.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -66.67 -36.29 82.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.32 -45.08 80.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 132' ' ' LYS . 13.0 t -76.61 -0.3 22.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.527 0.203 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 39.1 t -47.72 141.35 7.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.98 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.94 -56.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' PRO . 11.3 mmmt -38.2 -32.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD11 ' CE2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -88.42 -62.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -43.23 -31.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -44.6 60.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -64.53 -58.72 5.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.733 HD11 ' HD2' ' A' ' 101' ' ' PHE . 46.2 mt -47.55 -56.27 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -58.7 -64.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' LEU . 44.0 tp -44.08 -55.61 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -48.05 -63.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -49.42 -25.7 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -37.91 21.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' LEU . 26.2 mt -51.43 156.6 2.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.632 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.03 134.26 17.54 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.2 ptmt -34.1 -67.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -35.4 -53.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.632 HD12 ' CG ' ' A' ' 17' ' ' PRO . 36.6 mt -65.86 -43.5 88.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 1.2 mtm105 -49.2 -21.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.502 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -85.21 -31.58 23.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.514 ' CG ' ' N ' ' A' ' 24' ' ' VAL . 1.2 pt20 -79.09 -48.44 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.514 ' N ' ' CG ' ' A' ' 23' ' ' GLN . 4.0 p -49.17 -54.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' N ' HG13 ' A' ' 24' ' ' VAL . 85.1 mt -45.99 -37.36 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 22' ' ' SER . 4.2 mm? -76.81 -48.06 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.705 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 3.6 mt-10 -48.54 -59.62 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 84' ' ' GLU . 7.6 m-30 -38.69 -65.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -50.48 -32.05 17.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -66.77 -36.02 81.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.497 ' NZ ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -76.57 -36.93 57.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' LYS . 55.1 t -39.58 99.05 0.19 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 156.18 43.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.42 41.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.09 42.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.82 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.901 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.98 167.41 27.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.46 4.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . 125.84 -59.15 0.66 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.901 HG11 ' HD2' ' A' ' 36' ' ' PRO . 6.6 p -39.18 136.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.78 120.57 42.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -92.79 144.36 25.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -106.58 121.96 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' CD ' ' HA ' ' A' ' 50' ' ' PRO . 18.8 ttp85 -62.04 138.35 58.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' PHE . 46.8 t -96.41 91.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -50.91 -42.24 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -42.51 -33.26 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.25 133.8 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.04 -41.61 75.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.5 p -76.6 156.25 83.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.394 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 74.48 4.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.557 1.819 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -88.09 116.97 26.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 8.9 m-85 -107.2 151.5 25.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.666 HG23 ' CD1' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -159.96 171.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -165.4 123.8 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.663 ' HB1' HG22 ' A' ' 130' ' ' VAL . . . -109.99 139.96 44.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -149.21 172.2 15.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.458 HG23 ' CB ' ' A' ' 133' ' ' ALA . 72.7 t -125.35 111.65 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.94 124.63 26.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.96 35.81 90.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.62 6.67 51.14 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 11.5 mtpt -107.62 177.71 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 89' ' ' GLU . 21.5 t -111.25 115.87 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -82.92 105.42 13.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.955 HD13 ' HA ' ' A' ' 87' ' ' GLU . 5.8 mp -92.48 136.05 33.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 58.4 m-85 -139.77 119.7 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.666 ' CD1' HG23 ' A' ' 53' ' ' VAL . 74.3 m-85 -123.81 149.77 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -149.59 115.85 5.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.632 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.599 HG12 ' H ' ' A' ' 71' ' ' GLU . 96.8 t -120.68 116.98 31.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.05 -67.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -26.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.599 ' H ' HG12 ' A' ' 68' ' ' VAL . 3.9 mt-10 70.6 31.57 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.93 129.85 85.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.724 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.05 -6.09 17.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.5 p -96.61 -39.31 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 ' CE2' ' A' ' 51' ' ' PHE . 38.2 t -80.15 -39.84 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.559 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 6.9 tttt -71.21 -48.83 49.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -40.87 -63.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CD2' ' HG ' ' A' ' 119' ' ' LEU . 8.7 t80 -51.36 -52.07 48.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.41 -42.1 6.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.08 -28.46 71.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.679 ' C ' HD13 ' A' ' 81' ' ' LEU . 1.3 tm? -66.51 -41.24 89.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.679 ' HB3' HD12 ' A' ' 86' ' ' LEU . 2.9 mm? -59.8 -53.66 55.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.56 -16.66 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 28' ' ' TYR . 4.0 mm-40 -73.81 -22.76 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.685 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -145.53 41.53 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 85' ' ' GLY . 54.5 mt -154.87 -45.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.955 ' HA ' HD13 ' A' ' 64' ' ' LEU . 6.9 tt0 -52.85 116.28 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.55 3.39 71.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.964 ' O ' HG23 ' A' ' 62' ' ' VAL . 76.2 mm-40 -87.8 178.06 6.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.425 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 2.0 p -89.31 160.21 42.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.949 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 1.035 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -7.99 19.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.25 -35.95 12.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.97 -32.89 59.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.612 HG22 HD22 ' A' ' 86' ' ' LEU . 14.2 t -70.21 -42.95 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.035 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.3 mm? -61.82 -29.03 69.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.34 -42.28 96.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.753 ' O ' HD21 ' A' ' 123' ' ' LEU . 20.1 t -52.69 107.35 0.82 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.507 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.97 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.451 1.763 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.9 10.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -127.79 32.43 3.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.733 ' HD2' HD11 ' A' ' 10' ' ' LEU . 14.1 p90 -75.86 -14.28 60.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE2' ' CD ' ' A' ' 120' ' ' GLU . 39.8 p90 -89.77 -31.45 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -45.15 130.75 7.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.55 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 70.31 77.52 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.641 ' CE2' HD13 ' A' ' 10' ' ' LEU . 4.1 m-85 -174.78 -47.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.38 -39.68 0.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.674 HD23 ' HE2' ' A' ' 111' ' ' PHE . 1.4 mt -49.47 -36.27 22.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.484 ' HA ' HD11 ' A' ' 116' ' ' LEU . 1.5 tm-20 -52.32 -61.24 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.78 -59.92 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -40.37 -71.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.674 ' HE2' HD23 ' A' ' 107' ' ' LEU . 78.6 m-85 -80.72 120.69 24.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.8 p -51.03 163.84 0.48 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.441 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.69 17.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.46 -51.9 5.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -32.88 70.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 108' ' ' GLU . 13.7 mt -52.13 -48.25 64.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -39.85 -58.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -58.18 -48.56 82.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.578 ' HG ' ' CD2' ' A' ' 78' ' ' PHE . 1.5 mp -46.98 -48.08 21.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.433 ' CD ' ' CE2' ' A' ' 102' ' ' TYR . 31.1 mm-40 -59.64 -46.35 89.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.916 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -41.01 -50.18 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.947 ' O ' HD22 ' A' ' 126' ' ' LEU . . . -41.51 -71.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.753 HD21 ' O ' ' A' ' 97' ' ' VAL . 62.2 tp -40.92 -50.38 3.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 121' ' ' ALA . 7.8 mt -53.11 -44.36 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.537 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 10.8 mmp_? -60.44 -69.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.947 HD22 ' O ' ' A' ' 122' ' ' ALA . 0.6 OUTLIER -39.56 -64.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.552 ' HB3' HD13 ' A' ' 95' ' ' LEU . 50.2 mt-30 -41.65 -43.27 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -61.13 -43.41 98.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.568 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 7.9 mt-30 -74.64 -60.35 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.663 HG22 ' HB1' ' A' ' 55' ' ' ALA . 59.2 t -38.52 -49.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.664 ' HG3' HD11 ' A' ' 95' ' ' LEU . 8.8 mtp180 -46.05 -61.5 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -49.66 -37.22 27.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -66.69 -32.67 74.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.792 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -82.49 -46.97 12.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.478 ' N ' HD12 ' A' ' 134' ' ' LEU . 1.9 p -79.65 48.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.915 ' O ' HG22 ' A' ' 2' ' ' VAL . 30.8 mtp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.491 0.186 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 1' ' ' MET . 2.6 m 56.5 160.05 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 173.75 13.95 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.06 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -38.66 -31.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' PRO . 18.2 tp -88.58 -67.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 11.1 tptt -39.43 -32.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -76.39 -56.78 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.56 -46.35 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.621 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 32.7 mt -66.14 -64.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -41.34 -39.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' LEU . 55.1 tp -70.35 -43.54 69.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' LEU . 62.9 t80 -51.02 -47.49 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -62.24 -43.9 97.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 t -68.18 -30.69 69.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' LEU . 14.8 mt -58.77 151.98 50.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.0 139.24 24.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' ARG . 49.6 tttt -34.95 -68.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -34.16 -54.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.865 ' O ' HG12 ' A' ' 24' ' ' VAL . 13.6 mt -65.64 -44.89 85.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 11.9 mtt180 -48.22 -22.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -87.15 -32.5 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.028 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.5 mm100 -76.91 -48.83 17.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.865 HG12 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -44.03 -58.63 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.745 HD22 ' CZ ' ' A' ' 111' ' ' PHE . 77.5 mt -42.57 -44.11 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.43 -49.26 56.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.8 mt-10 -45.71 -55.23 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.751 ' O ' HG23 ' A' ' 32' ' ' VAL . 14.5 m-85 -41.16 -53.7 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.83 -38.15 64.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -68.7 -26.08 65.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.3 43.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 28' ' ' TYR . 75.8 t -133.94 97.79 15.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.04 166.22 29.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.4 Cg_endo -75.01 154.91 42.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.2 Cg_endo -74.96 160.46 40.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.886 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -75.0 162.78 36.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 3.05 5.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.09 66.12 0.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.886 HG11 ' HD2' ' A' ' 36' ' ' PRO . 10.7 p -157.99 134.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.55 115.99 31.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.22 146.71 24.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -105.31 142.51 34.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.456 ' NH2' ' O ' ' A' ' 47' ' ' CYS . 1.9 tpt180 -76.62 128.64 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.658 HG22 ' HD3' ' A' ' 125' ' ' ARG . 63.7 t -95.76 88.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.43 ' HA ' ' NH2' ' A' ' 43' ' ' ARG . 25.4 m-70 -55.18 -36.1 65.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.541 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -42.4 63.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.56 ' H ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -77.95 114.39 16.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.334 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -39.14 -44.58 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.3 p -81.66 159.74 65.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 77.02 3.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -89.25 142.18 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -131.7 134.67 46.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.659 ' CG2' HD21 ' A' ' 126' ' ' LEU . 2.9 p -146.7 161.62 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.577 ' CD2' HG23 ' A' ' 39' ' ' VAL . 86.6 t60 -145.68 131.29 18.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -118.31 134.32 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 63' ' ' ARG . 23.5 m-20 -164.48 166.75 20.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.828 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -136.0 127.79 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.33 101.79 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.13 -82.22 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.79 20.54 0.69 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 23.9 mttt -137.06 150.35 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.876 HG21 HG21 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -97.57 126.59 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.539 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -94.32 114.88 27.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 86' ' ' LEU . 16.7 mt -97.51 141.49 30.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 87.7 m-85 -142.81 128.87 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.477 ' CD1' HG23 ' A' ' 53' ' ' VAL . 85.3 m-85 -125.1 159.31 31.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -155.0 120.51 5.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.506 HG12 ' H ' ' A' ' 71' ' ' GLU . 41.0 t -126.72 114.65 22.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.99 -66.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.768 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -46.76 -26.56 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.506 ' H ' HG12 ' A' ' 68' ' ' VAL . 3.0 mt-10 67.56 53.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -78.7 133.26 62.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.679 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -75.0 -22.81 14.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.534 1.807 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 p -86.01 -25.58 25.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 99.3 t -88.27 -48.44 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 14.2 tttt -63.31 -44.61 94.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.7 -60.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.666 ' CE2' HD11 ' A' ' 82' ' ' LEU . 15.2 t80 -52.49 -51.29 60.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -44.07 -52.18 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.555 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -63.86 -30.6 78.18 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.573 ' HB2' ' CD2' ' A' ' 28' ' ' TYR . 1.5 tp -76.39 -27.62 56.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' CE2' ' A' ' 78' ' ' PHE . 97.2 mt -74.46 -48.1 29.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.674 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -74.67 -18.57 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.584 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 3.2 mm-40 -55.91 -40.66 73.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.517 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -130.17 49.04 0.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 82' ' ' LEU . 79.0 mt -154.62 -44.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 113.33 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.94 28.1 32.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.852 ' O ' HG13 ' A' ' 62' ' ' VAL . 77.6 mm-40 -104.94 -173.91 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.466 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 11.2 p -94.02 158.01 36.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.539 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -10.18 21.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.76 -35.96 12.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -76.93 -35.55 57.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.876 HG21 HG21 ' A' ' 62' ' ' VAL . 40.9 t -72.05 -17.17 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 91' ' ' PRO . 11.1 mt -94.49 -28.59 15.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.57 -6.16 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.89 ' HA ' HG12 ' A' ' 2' ' ' VAL . 3.3 t -83.07 117.28 68.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 174.76 12.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.94 14.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.02 54.09 0.71 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.536 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 3.4 p90 -83.0 -8.67 59.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.976 ' HB2' HD13 ' A' ' 107' ' ' LEU . 42.2 p90 -103.66 -45.24 4.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.528 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 67.2 mtp180 -35.38 121.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' TYR . . . 129.8 -73.49 0.46 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 37.8 m-85 -36.91 -64.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 0.731 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.83 62.76 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.976 HD13 ' HB2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -101.18 -26.51 13.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.02 -43.11 99.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -44.97 -30.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.702 ' CD2' HD11 ' A' ' 25' ' ' LEU . 53.9 m-85 -99.78 -49.58 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.745 ' CZ ' HD22 ' A' ' 25' ' ' LEU . 27.6 m-85 -91.77 118.04 30.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 p -46.85 158.41 0.42 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -8.9 20.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 114' ' ' LEU . 1.6 mm? -91.61 -60.99 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -51.98 -37.22 52.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' ARG . 6.0 mt -47.56 -52.19 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -38.73 -45.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -67.47 -55.69 14.31 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 90.4 mt -42.41 -61.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 123' ' ' LEU . 36.1 mt-10 -46.65 -59.17 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -34.68 -47.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -42.76 -54.26 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' GLU . 6.5 tp -60.73 -48.86 79.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.1 mm? -51.75 -46.01 63.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.658 ' HD3' HG22 ' A' ' 44' ' ' VAL . 8.8 mtt85 -63.48 -57.63 9.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 130' ' ' VAL . 4.7 mt -49.18 -44.82 43.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 21.0 mt-30 -64.87 -25.43 67.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.8 -20.32 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 29.6 mt-30 -92.0 -34.19 14.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 126' ' ' LEU . 75.3 t -59.97 -54.97 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -43.65 -28.71 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' SER . 22.6 mmmt -70.61 -41.54 72.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.828 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -58.27 -45.43 87.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 134' ' ' LEU . 7.3 mp -47.57 -39.18 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.0 t -116.57 26.72 9.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' LYS . 5.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.572 0.225 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.553 HG13 HD12 ' A' ' 6' ' ' LEU . 45.7 t -70.11 141.55 89.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.5 Cg_endo -74.96 174.45 12.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.96 -59.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -40.73 -29.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.553 HD12 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -87.07 -66.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -43.74 -30.38 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -55.92 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.715 ' HB1' ' OH ' ' A' ' 28' ' ' TYR . . . -57.59 -51.45 69.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.782 HD11 ' HD2' ' A' ' 101' ' ' PHE . 72.1 mt -54.75 -53.49 54.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.79 -51.84 68.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 16' ' ' LEU . 43.4 tp -55.23 -48.52 73.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.698 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 45.8 t80 -54.4 -58.78 6.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -60.41 -19.07 54.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.1 t -86.7 -30.89 21.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD13 HG21 ' A' ' 24' ' ' VAL . 28.7 mt -70.13 158.52 87.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.59 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -74.98 136.27 20.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' PRO . 2.1 ttmm -36.13 -69.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 6.8 pt-20 -35.36 -44.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.59 HD12 ' CG ' ' A' ' 17' ' ' PRO . 13.2 mt -72.74 -51.31 19.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' LYS . 14.5 mtt180 -37.17 -34.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -59.96 -54.16 49.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.2 pt20 -65.71 -39.47 91.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.475 HG21 HD13 ' A' ' 16' ' ' LEU . 84.0 t -48.29 -62.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.698 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 24.1 mt -45.62 -39.7 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 22' ' ' SER . 3.0 mm? -68.25 -51.56 43.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.8 mt-10 -47.47 -50.48 23.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.715 ' OH ' ' HB1' ' A' ' 9' ' ' ALA . 3.1 m-85 -43.83 -55.49 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -55.72 -32.8 63.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -67.57 -25.23 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.32 39.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.3 100.63 35.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.81 42.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 155.58 43.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 160.24 40.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 147.29 33.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.76 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.03 58.48 4.93 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.18 39.26 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 69.9 t -143.96 135.12 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.423 0.719 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -95.57 123.16 38.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 65' ' ' TYR . 2.3 mp -109.66 152.07 26.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.58 124.94 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 23.2 ttp180 -63.74 147.77 50.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.441 HG22 ' HD3' ' A' ' 125' ' ' ARG . 92.9 t -98.89 91.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -24.59 64.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.632 ' HG2' ' HB2' ' A' ' 121' ' ' ALA . 1.0 OUTLIER -60.61 -29.38 69.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.435 ' C ' ' CG ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -102.18 -16.57 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.435 ' CG ' ' C ' ' A' ' 47' ' ' CYS . 1.5 mt-30 76.64 -59.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.0 p -41.37 160.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 63.48 6.04 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -108.65 105.11 14.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 43' ' ' ARG . 2.1 m-85 -105.13 132.47 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.847 ' HB ' HD21 ' A' ' 126' ' ' LEU . 30.5 m -128.57 157.59 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.405 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 83.1 t60 -149.58 115.52 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 126' ' ' LEU . . . -105.77 130.29 53.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 22.8 m-20 -156.88 164.63 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.83 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -135.73 123.73 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.91 111.55 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.61 -82.54 1.58 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.93 22.38 0.6 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 57' ' ' VAL . 5.6 pttt -136.98 152.32 50.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 89' ' ' GLU . 59.0 t -91.85 146.7 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.579 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 2.3 mmt180 -119.25 102.55 8.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' A' ' 86' ' ' LEU . 9.0 mt -81.71 138.04 35.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 66.7 m-85 -141.18 120.02 12.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 53' ' ' VAL . 92.7 m-85 -124.06 138.81 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -132.07 111.61 11.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.574 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.499 HG11 ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -138.57 111.73 8.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.01 -65.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' PRO . 35.4 t70 -37.42 -31.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' PRO . 2.8 mt-10 69.68 30.73 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -52.4 124.14 31.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.603 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.05 -8.19 19.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -96.46 -25.17 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.495 HG22 HH22 ' A' ' 115' ' ' ARG . 24.2 t -94.1 -38.34 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.587 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 2.7 tttt -72.08 -40.9 67.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.06 -51.21 1.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.535 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.5 t80 -64.04 -53.69 45.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 78' ' ' PHE . . . -40.12 -49.42 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -63.31 -34.74 90.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.674 ' O ' HD12 ' A' ' 81' ' ' LEU . 2.1 tp -63.65 -37.21 86.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.624 ' CA ' HD12 ' A' ' 86' ' ' LEU . 3.2 mm? -69.16 -56.95 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.476 ' HG3' ' CB ' ' A' ' 87' ' ' GLU . 58.8 ttt-85 -63.82 -24.33 67.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.563 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -48.56 -45.99 38.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.647 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -143.27 61.07 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 85' ' ' GLY . 56.1 mt -156.1 -45.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.77 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -58.7 125.17 22.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.02 -21.87 34.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.803 ' O ' HG23 ' A' ' 62' ' ' VAL . 18.5 mm-40 -71.2 173.01 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.983 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.7 m -80.88 158.9 69.87 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 94' ' ' VAL . 18.5 Cg_endo -75.01 -9.7 20.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.77 -35.45 17.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.99 -32.21 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.983 HG13 ' O ' ' A' ' 90' ' ' SER . 13.0 m -68.05 -47.95 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' N ' HG23 ' A' ' 94' ' ' VAL . 2.7 mt -59.22 -34.16 71.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -58.13 -23.3 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.61 HG21 HD21 ' A' ' 86' ' ' LEU . 50.9 t -69.72 113.43 17.24 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 167.2 27.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.472 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -74.97 -2.25 12.28 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.81 24.84 5.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.782 ' HD2' HD11 ' A' ' 10' ' ' LEU . 21.5 p90 -63.62 -28.93 70.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.888 ' HB2' HD13 ' A' ' 107' ' ' LEU . 37.6 p90 -78.85 -41.04 31.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -48.94 127.46 14.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.55 -46.18 1.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.568 1.168 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.626 ' CE2' HD13 ' A' ' 10' ' ' LEU . 82.4 m-85 -78.17 50.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 105' ' ' TYR . . . 30.95 54.32 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.888 HD13 ' HB2' ' A' ' 102' ' ' TYR . 3.5 mt -101.13 -40.73 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -63.41 -33.08 74.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.53 -24.1 2.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -105.01 -49.05 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 67.4 m-85 -87.31 125.09 34.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 p -57.55 162.86 4.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.443 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.19 19.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.14 -48.98 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.495 HH22 HG22 ' A' ' 75' ' ' VAL . 14.0 mtp85 -62.31 -40.63 96.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.655 HD22 ' CE2' ' A' ' 102' ' ' TYR . 16.9 mt -53.46 -49.06 68.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -48.44 -32.4 7.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.535 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -86.23 -39.39 7.91 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.526 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 15.1 mt -59.55 -57.64 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.49 ' CD ' ' CE1' ' A' ' 102' ' ' TYR . 28.1 mm-40 -44.79 -43.91 8.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.632 ' HB2' ' HG2' ' A' ' 46' ' ' GLU . . . -42.33 -39.48 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.82 -60.69 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 97' ' ' VAL . 27.1 tp -54.86 -52.94 61.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 99' ' ' PRO . 35.7 mt -50.04 -50.64 46.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' A' ' 44' ' ' VAL . 23.3 mtt-85 -60.57 -65.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.847 HD21 ' HB ' ' A' ' 53' ' ' VAL . 16.4 mt -44.33 -52.07 7.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 37.5 mt-30 -59.27 -33.76 71.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -69.29 -16.5 63.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -95.43 -23.53 17.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.571 HG13 ' HB3' ' A' ' 91' ' ' PRO . 94.3 t -76.75 -43.19 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.728 ' O ' HG22 ' A' ' 135' ' ' THR . 11.4 mtt180 -45.75 -25.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.455 ' HA ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -86.47 -42.49 13.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.83 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -66.14 -33.38 75.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.795 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -69.23 -48.9 60.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.767 ' N ' HD12 ' A' ' 134' ' ' LEU . 5.5 t -79.45 -4.99 53.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' C ' HG23 ' A' ' 2' ' ' VAL . 3.0 ttt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.478 0.18 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 21.5 t -151.94 141.07 14.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 174.82 12.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.2 Cg_endo -75.06 -59.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -36.07 -35.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.551 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -87.01 -65.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.17 -31.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -57.39 13.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.653 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -51.9 -66.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.863 HD13 ' CE2' ' A' ' 105' ' ' TYR . 93.5 mt -42.28 -64.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -43.36 -49.1 7.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 16' ' ' LEU . 12.1 tp -62.21 -35.58 79.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' LEU . 5.8 t80 -59.69 -64.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -57.89 -18.71 24.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 t -85.34 -38.14 19.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 16' ' ' LEU . 28.8 mt -70.23 159.04 86.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -74.98 136.23 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' GLU . 7.7 tttp -34.83 -68.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -33.88 -57.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ARG . 14.7 mt -58.06 -57.41 12.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LEU . 13.7 mtt180 -36.58 -39.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -56.69 -55.25 36.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LEU . 4.4 pt20 -66.68 -37.94 85.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.0 t -49.47 -57.66 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.538 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 39.6 mt -50.36 -42.04 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 73' ' ' PRO . 6.7 mt -61.42 -37.41 83.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.63 -44.97 80.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.5 m-85 -53.49 -24.24 12.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.59 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -89.02 -27.07 21.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.15 -19.49 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.59 -32.4 18.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 28' ' ' TYR . 33.1 t -44.66 103.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.84 40.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.5 Cg_endo -74.95 151.11 39.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.432 1.754 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.3 Cg_endo -75.04 151.79 39.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.666 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 154.35 42.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.776 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.97 125.36 9.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.27 -21.58 21.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.666 HG21 ' HG2' ' A' ' 36' ' ' PRO . 5.9 t -76.5 133.53 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -99.13 133.19 43.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 65' ' ' TYR . 2.7 mp -117.97 147.08 43.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 2.1 tt0 -100.62 145.35 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 16.5 ttp180 -80.96 146.58 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.536 HG22 ' HD3' ' A' ' 125' ' ' ARG . 64.9 t -100.58 90.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -53.87 -33.09 55.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.679 ' HG2' ' HB2' ' A' ' 121' ' ' ALA . 1.8 tp10 -54.65 -24.84 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.1 t -113.79 121.12 43.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -50.96 -48.46 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.9 p -58.89 155.84 29.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.79 4.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.665 ' HE2' ' HB2' ' A' ' 122' ' ' ALA . 3.9 t80 -97.24 114.26 25.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 36.8 m-85 -104.08 144.57 31.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.58 ' CG2' HD21 ' A' ' 126' ' ' LEU . 2.1 m -144.38 163.83 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.433 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 63.5 t60 -165.35 123.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.648 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.696 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -116.47 138.84 51.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 63' ' ' ARG . 15.6 m-20 -164.56 171.76 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.729 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -135.98 122.01 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.66 108.93 19.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.07 -82.29 1.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.44 20.97 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.1 mtmm -136.24 152.31 50.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 89' ' ' GLU . 5.6 t -86.52 155.22 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.548 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 10.7 mmt180 -132.05 114.84 15.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.638 HD22 ' CD1' ' A' ' 126' ' ' LEU . 63.3 mt -98.35 151.34 20.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 76.3 m-85 -153.85 120.35 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.403 ' HD1' HG12 ' A' ' 53' ' ' VAL . 87.6 m-85 -126.22 135.95 52.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -132.16 118.6 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.61 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.589 HG11 ' HG3' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -138.6 116.34 9.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.469 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.03 -49.69 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.5 t0 -49.66 -17.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 13.5 pt-20 49.16 40.09 16.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.817 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -62.97 127.79 91.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.1 Cg_endo -74.98 -17.41 19.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.5 t -97.26 -16.83 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.817 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 99.7 t -94.37 -48.53 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -63.42 -43.46 97.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -37.1 -67.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.839 ' CD1' HD13 ' A' ' 119' ' ' LEU . 5.2 t80 -48.09 -56.6 7.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 82' ' ' LEU . . . -47.64 -56.22 7.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.53 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -53.31 -33.1 45.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 5.0 tt -59.53 -53.03 62.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 78' ' ' PHE . 2.7 mm? -52.17 -55.18 22.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.62 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -67.7 -12.12 59.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.653 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -67.29 -37.0 82.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.69 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -146.28 54.67 0.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 85' ' ' GLY . 54.2 mt -156.4 -47.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.488 ' HB2' ' CG ' ' A' ' 83' ' ' ARG . 1.3 tm-20 -55.08 115.62 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.24 -22.36 39.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.983 ' O ' HG23 ' A' ' 62' ' ' VAL . 39.2 mm-40 -59.92 -172.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.502 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 1.4 m -87.43 161.18 46.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.654 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -14.99 20.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -96.26 -36.49 10.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.64 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.7 -56.7 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.741 HD11 ' HG3' ' A' ' 131' ' ' ARG . 4.4 mm? -52.76 -33.29 47.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . 3.1 mm-40 -60.67 -13.52 15.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 63.0 t -81.16 122.45 81.5 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.84 17.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.657 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.1 Cg_endo -75.04 -10.34 21.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.37 58.96 0.68 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.648 ' HD1' HD11 ' A' ' 10' ' ' LEU . 8.8 p90 -88.18 -1.07 57.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.964 ' HB2' HD13 ' A' ' 107' ' ' LEU . 41.4 p90 -112.28 -45.19 3.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.568 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 50.7 mtm180 -41.41 105.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.81 -70.03 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.863 ' CE2' HD13 ' A' ' 10' ' ' LEU . 82.9 m-85 -37.65 -68.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 156.81 58.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.964 HD13 ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -101.04 -24.66 14.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.467 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 13.2 mt-10 -65.08 -49.94 68.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -40.67 -28.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.419 ' N ' ' C ' ' A' ' 108' ' ' GLU . 17.8 m-85 -103.88 -45.95 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.538 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 28.1 m-85 -98.96 107.1 19.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.0 p -39.94 159.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.99 18.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.0 -63.06 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -54.03 -33.23 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.528 HD22 ' CE2' ' A' ' 102' ' ' TYR . 10.3 mt -49.56 -50.65 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.17 -56.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -62.94 -48.25 82.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.839 HD13 ' CD1' ' A' ' 78' ' ' PHE . 12.7 mt -41.72 -44.73 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 121' ' ' ALA . 10.3 mt-10 -60.32 -51.94 67.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.679 ' HB2' ' HG2' ' A' ' 46' ' ' GLU . . . -34.71 -38.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.665 ' HB2' ' HE2' ' A' ' 51' ' ' PHE . . . -51.17 -58.85 5.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.481 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.7 OUTLIER -66.06 -55.9 14.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' A' ' 99' ' ' PRO . 2.7 mm? -40.28 -43.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.536 ' HD3' HG22 ' A' ' 44' ' ' VAL . 5.2 mtt-85 -71.7 -51.07 24.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.638 ' CD1' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -45.32 -51.33 11.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.661 ' HB3' HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -59.45 -29.71 67.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.36 -15.33 55.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 3.5 mm-40 -92.19 -37.59 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.696 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 53.2 t -71.57 -49.4 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.741 ' HG3' HD11 ' A' ' 95' ' ' LEU . 6.3 mtp180 -42.9 -30.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.768 ' O ' HG22 ' A' ' 135' ' ' THR . 8.9 mmmm -67.78 -45.4 74.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.729 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -54.02 -45.61 71.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 131' ' ' ARG . 7.9 mp -46.48 -32.74 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 132' ' ' LYS . 8.9 t -102.66 -20.33 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.51 0.195 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.804 ' CG1' HD23 ' A' ' 6' ' ' LEU . 45.4 t 67.21 141.64 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.518 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.94 173.02 15.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.462 1.77 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.05 -55.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -37.66 -45.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.804 HD23 ' CG1' ' A' ' 2' ' ' VAL . 25.1 tp -72.82 -66.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' LEU . 5.3 tptt -38.76 -30.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -80.54 -52.73 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -53.74 -38.77 64.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 69.3 mt -73.35 -61.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.9 -48.49 51.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' LEU . 48.2 tp -55.48 -46.65 76.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 14.7 t80 -52.86 -58.98 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -56.22 -21.23 22.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -92.19 -19.81 21.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 HG21 ' A' ' 24' ' ' VAL . 30.4 mt -73.01 157.98 87.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.562 ' HG2' HD13 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.01 137.26 21.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 17' ' ' PRO . 17.2 tttt -34.53 -68.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.801 ' HG2' HD12 ' A' ' 20' ' ' LEU . 9.5 tt0 -33.95 -49.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.801 HD12 ' HG2' ' A' ' 19' ' ' GLU . 9.8 mp -71.98 -47.5 51.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' LYS . 25.5 mtt180 -37.54 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.9 -42.63 10.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.032 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.6 mm-40 -63.13 -49.65 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.862 HG21 HD13 ' A' ' 16' ' ' LEU . 24.1 t -48.94 -60.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HG ' ' CE1' ' A' ' 13' ' ' PHE . 64.6 mt -42.23 -44.66 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -57.0 -61.37 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' ALA . 2.7 mt-10 -44.07 -61.55 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE1' ' HG3' ' A' ' 84' ' ' GLU . 5.8 m-30 -37.31 -51.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HB1' ' CG ' ' A' ' 76' ' ' LYS . . . -55.72 -46.58 77.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -67.95 -15.63 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -31.59 24.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.621 HG22 ' HA2' ' A' ' 80' ' ' GLY . 53.7 t -58.39 110.58 2.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HD3' ' NE ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.02 165.45 31.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.4 42.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.01 143.3 28.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.574 1.829 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.62 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.98 159.6 41.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 128.62 11.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.03 -28.68 10.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.62 HG21 ' HG2' ' A' ' 36' ' ' PRO . 18.7 t -67.25 123.73 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -94.8 112.71 24.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.07 142.42 29.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 1.6 tp10 -99.27 144.77 28.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 8.5 ttp-105 -80.34 145.31 32.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 47' ' ' CYS . 89.8 t -103.59 93.46 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -61.93 -33.73 74.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.6 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -50.9 -39.64 54.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.46 ' H ' HG12 ' A' ' 44' ' ' VAL . 2.9 t -88.03 150.24 23.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.49 29.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.552 HG21 ' NH2' ' A' ' 115' ' ' ARG . 47.2 p -136.92 155.66 76.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.604 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.99 60.77 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD1' HG11 ' A' ' 75' ' ' VAL . 11.4 t80 -90.81 153.34 20.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' A' ' 50' ' ' PRO . 14.8 m-85 -150.89 134.74 16.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.09 ' CG2' HD21 ' A' ' 126' ' ' LEU . 9.3 p -135.22 154.76 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 54' ' ' HIS . 1.9 t-160 -151.59 125.82 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -115.59 140.65 48.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -148.61 167.33 25.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 59.4 t -113.97 100.5 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -101.45 102.88 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.3 -78.43 2.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.64 25.47 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 14.0 mttt -133.59 176.99 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 89' ' ' GLU . 62.7 t -109.84 114.18 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 22.1 mmt180 -86.02 117.19 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.651 HD11 ' HB2' ' A' ' 86' ' ' LEU . 28.9 mt -97.2 141.44 30.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 63' ' ' ARG . 31.3 m-85 -146.96 120.15 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.449 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 85.7 m-85 -119.75 161.15 21.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -146.02 115.96 7.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.912 HG21 ' HD2' ' A' ' 76' ' ' LYS . 78.9 t -124.46 99.9 35.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.99 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.96 -14.12 3.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' CA ' HG12 ' A' ' 68' ' ' VAL . 1.8 mt-10 73.16 18.2 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' LYS . . . -50.34 120.1 11.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 76' ' ' LYS . 18.4 Cg_endo -74.99 -50.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.5 p -43.9 -30.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.615 HG11 ' CD1' ' A' ' 51' ' ' PHE . 81.5 t -93.59 -32.01 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.912 ' HD2' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -63.1 -60.56 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 25' ' ' LEU . . . -38.75 -63.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 4.5 t80 -46.06 -59.24 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.857 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.69 -40.27 12.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.621 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -72.77 -25.85 72.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 78' ' ' PHE . 4.5 tp -75.85 -46.97 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -59.43 -36.27 75.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -81.24 -11.08 59.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.547 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 4.6 mm-40 -95.36 -2.85 48.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.487 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -130.68 -33.89 0.46 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.045 HD12 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -94.58 -65.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.624 ' C ' ' O ' ' A' ' 86' ' ' LEU . 2.3 tm-20 -16.92 112.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.38 14.27 64.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 62' ' ' VAL . 35.9 mm-40 -98.96 165.28 11.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 110.358 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 p -78.65 161.33 69.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.908 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -7.59 19.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -35.21 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -75.12 -30.72 60.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.045 HG22 HD12 ' A' ' 86' ' ' LEU . 12.1 t -71.13 -41.63 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.908 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.4 mm? -66.59 -32.63 74.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.21 -8.34 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 93' ' ' ALA . 59.0 t -86.86 120.26 71.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 173.0 15.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.603 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.1 Cg_endo -74.99 0.35 9.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.799 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -140.46 48.78 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 12.4 p90 -69.84 -28.96 66.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.927 ' HB2' HD23 ' A' ' 107' ' ' LEU . 51.7 p90 -77.79 -25.65 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -39.53 124.18 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 75.45 77.45 0.71 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.4 m-85 -172.16 -51.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 161.47 -44.24 0.39 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.927 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -43.77 -47.27 7.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.803 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -51.41 14.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -71.09 -59.34 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.47 -65.26 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -78.51 141.1 38.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -61.9 160.46 28.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.71 17.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.08 -55.51 3.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.552 ' NH2' HG21 ' A' ' 49' ' ' THR . 1.5 ttt180 -62.88 -37.19 85.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.8 mt -51.84 -47.0 64.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.9 mtt-85 -46.07 -42.69 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -71.47 -54.58 8.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.588 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -44.3 -40.79 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.83 -43.48 98.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 122' ' ' ALA . . . -54.29 -48.46 71.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 121' ' ' ALA . . . -38.65 -50.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.478 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.1 tm? -65.7 -63.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 99' ' ' PRO . 12.3 mt -40.67 -29.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 3.5 mmp_? -75.48 -60.34 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.09 HD21 ' CG2' ' A' ' 53' ' ' VAL . 16.1 mt -46.28 -55.12 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.657 ' HB3' HD13 ' A' ' 95' ' ' LEU . 14.7 mt-30 -45.56 -32.67 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -74.26 -42.76 59.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 126' ' ' LEU . 53.7 mt-30 -65.66 -56.2 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.642 ' HB ' HD21 ' A' ' 95' ' ' LEU . 13.3 t -49.93 -61.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.743 ' HG3' HD11 ' A' ' 95' ' ' LEU . 1.6 mtt-85 -39.43 -30.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 133' ' ' ALA . 1.0 OUTLIER -68.27 -53.14 26.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 132' ' ' LYS . . . -47.52 -41.6 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 18.4 mt -46.46 -44.18 17.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 136' ' ' SER . 9.8 t -114.85 26.89 9.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 135' ' ' THR . 2.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HG2' HG23 ' A' ' 2' ' ' VAL . 20.8 ttm . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.55 0.214 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 5.0 t 71.72 140.97 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.96 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 8' ' ' GLN . 18.3 Cg_endo -75.03 -49.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -50.13 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -67.81 -67.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -40.52 -31.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 4' ' ' PRO . 2.7 mt-30 -67.56 -59.24 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.78 -49.64 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.617 HD11 ' HD1' ' A' ' 101' ' ' PHE . 97.4 mt -63.03 -70.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -41.34 -43.33 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' LEU . 20.5 tp -65.57 -45.3 83.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 21' ' ' ARG . 40.9 t80 -51.46 -57.9 7.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -59.7 -15.11 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -8.51 20.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.992 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.518 HD13 HG21 ' A' ' 24' ' ' VAL . 28.3 mt -83.4 160.74 58.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.72 ' HG2' HD22 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -75.05 139.05 23.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -38.1 -70.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.601 ' HG3' HD13 ' A' ' 20' ' ' LEU . 6.8 pt-20 -34.05 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.72 HD22 ' HG2' ' A' ' 17' ' ' PRO . 9.2 mp -85.05 -56.57 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -37.65 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.39 -44.9 9.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.52 ' OE1' HD12 ' A' ' 20' ' ' LEU . 3.3 pt20 -65.55 -39.44 91.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.235 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG21 HD13 ' A' ' 16' ' ' LEU . 50.0 t -54.91 -57.85 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 HD21 ' A' ' 107' ' ' LEU . 77.1 mt -42.21 -36.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 26' ' ' LEU . 1.7 mm? -69.06 -54.72 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.7 OUTLIER -48.87 -51.62 28.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.592 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.8 m-30 -40.17 -55.66 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.656 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -57.96 -36.88 73.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -65.6 -25.59 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.2 32.62 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.674 HG22 ' HD3' ' A' ' 83' ' ' ARG . 72.0 t -125.85 98.02 34.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.25 40.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.2 Cg_endo -75.03 155.43 42.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.3 Cg_endo -75.01 152.85 41.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.456 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.98 161.01 39.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.946 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.62 11.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.39 -41.5 2.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.456 HG21 ' HG2' ' A' ' 36' ' ' PRO . 54.2 t -55.65 123.57 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.733 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.52 128.81 36.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.535 HD23 ' C ' ' A' ' 53' ' ' VAL . 2.0 mp -116.1 149.11 39.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.26 138.54 35.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -74.65 134.87 41.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.638 HG22 ' HD3' ' A' ' 125' ' ' ARG . 96.9 t -94.87 91.43 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -55.77 -49.39 73.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.14 -35.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 23.9 t -89.99 144.2 26.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -65.31 -59.07 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.7 p -65.84 160.7 60.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.94 74.9 3.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.454 ' O ' HG23 ' A' ' 44' ' ' VAL . 5.3 t80 -89.19 106.81 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 23.1 m-85 -103.92 134.32 47.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.535 ' C ' HD23 ' A' ' 41' ' ' LEU . 16.8 m -139.58 162.29 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -148.95 129.13 13.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.816 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -118.14 139.53 51.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 63' ' ' ARG . 17.8 m-20 -165.34 167.03 18.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.6 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.8 OUTLIER -135.75 129.2 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -125.3 101.22 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.0 -81.41 0.56 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.32 21.47 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 13.9 mttm -139.43 151.02 45.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 0.724 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -98.75 127.78 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 4.1 mmm180 -91.51 126.25 36.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.792 HD13 ' HA ' ' A' ' 87' ' ' GLU . 1.3 mp -99.44 149.05 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 92.5 m-85 -152.59 124.88 8.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CD1' HG12 ' A' ' 53' ' ' VAL . 98.4 m-85 -130.22 151.72 50.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -140.31 115.15 9.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.659 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.22 109.16 33.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -69.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.51 -30.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 69.05 56.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -83.53 129.77 58.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -75.0 -7.89 19.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -96.82 -25.73 15.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 20.6 t -92.83 -38.15 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.656 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 4.9 tttt -67.97 -38.67 83.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.81 -57.79 4.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.584 ' CG ' HD13 ' A' ' 119' ' ' LEU . 1.6 t80 -55.09 -49.4 71.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.91 -45.67 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.16 -28.84 73.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 78' ' ' PHE . 11.5 tp -68.16 -35.0 77.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.4 mm? -68.53 -52.73 28.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.674 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -72.9 -16.82 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.582 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 2.7 mm-40 -49.77 -54.11 21.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.769 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -126.97 51.66 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 85' ' ' GLY . 43.2 mt -151.64 -42.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.792 ' HA ' HD13 ' A' ' 64' ' ' LEU . 18.0 tp10 -46.32 110.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.31 34.73 35.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.645 ' O ' HG13 ' A' ' 62' ' ' VAL . 72.6 mm-40 -108.17 178.49 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 p -77.27 157.15 81.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.063 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.722 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.02 -14.54 21.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.791 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.57 -38.15 11.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.46 -26.1 65.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 62' ' ' VAL . 2.9 t -78.0 -42.32 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 91' ' ' PRO . 3.2 mm? -64.98 -34.95 79.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.91 -27.19 63.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.553 ' O ' HD21 ' A' ' 123' ' ' LEU . 40.1 t -64.47 111.97 6.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.444 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.0 170.33 20.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.803 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -1.88 11.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.55 43.62 1.27 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.617 ' HD1' HD11 ' A' ' 10' ' ' LEU . 28.6 p90 -80.14 -3.87 50.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.489 ' HB2' HD13 ' A' ' 107' ' ' LEU . 35.3 p90 -108.2 -37.13 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.425 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 42.5 mtt180 -49.98 128.11 17.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 105' ' ' TYR . . . 118.17 -71.94 0.3 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.593 ' CE2' HD13 ' A' ' 10' ' ' LEU . 65.5 m-85 -35.36 -85.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 170.65 51.18 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 102' ' ' TYR . 4.2 mt -101.45 -46.04 5.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -55.13 -37.7 67.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.4 -31.03 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 21' ' ' ARG . 26.5 m-85 -96.41 -43.14 7.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.89 ' HB2' HD21 ' A' ' 116' ' ' LEU . 49.2 m-85 -104.08 123.19 46.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.892 ' O ' HD23 ' A' ' 116' ' ' LEU . 1.4 p -46.68 159.74 0.35 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.38 16.9 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -76.58 -56.54 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -51.12 -41.7 60.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.892 HD23 ' O ' ' A' ' 112' ' ' THR . 4.1 mm? -56.87 -50.72 71.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -42.73 -27.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -90.9 -41.57 5.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.584 HD13 ' CG ' ' A' ' 78' ' ' PHE . 15.4 mt -59.0 -48.4 81.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' CD ' ' CE1' ' A' ' 102' ' ' TYR . 32.8 mm-40 -48.64 -37.08 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 118' ' ' GLY . . . -47.95 -37.76 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.43 ' C ' HD12 ' A' ' 126' ' ' LEU . . . -51.42 -65.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.553 HD21 ' O ' ' A' ' 97' ' ' VAL . 13.5 tp -48.59 -56.04 9.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.68 -48.49 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.638 ' HD3' HG22 ' A' ' 44' ' ' VAL . 13.1 mtt-85 -58.93 -62.96 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.636 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 1.5 mt -47.19 -48.77 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 15.2 mt-30 -50.37 -27.26 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -81.81 -31.72 31.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.816 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 10.0 mt-30 -76.23 -29.77 57.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.581 ' HB ' HD21 ' A' ' 95' ' ' LEU . 86.1 t -76.39 -60.8 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.707 ' HG3' HD11 ' A' ' 95' ' ' LEU . 8.6 mtt180 -41.01 -32.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.709 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -66.19 -46.9 75.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.6 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -51.77 -42.35 62.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 91' ' ' PRO . 7.0 mp -52.24 -40.51 61.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 132' ' ' LYS . 13.9 t -91.18 -15.77 28.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' LYS . 4.9 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.405 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.509 0.195 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.504 HG12 ' HD2' ' A' ' 3' ' ' PRO . 2.9 t 68.04 141.78 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.504 ' HD2' HG12 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.93 176.61 9.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 3' ' ' PRO . 18.3 Cg_endo -75.04 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 4.3 mmmt -39.34 -50.62 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.37 -69.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -41.28 -29.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' PRO . 2.4 mt-30 -75.18 -63.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.63 -31.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.613 HD11 ' HD2' ' A' ' 101' ' ' PHE . 78.8 mt -80.35 -53.19 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.15 -47.72 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.5 -41.34 76.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 7.6 t80 -57.59 -63.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -50.98 -27.08 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.24 -38.25 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 mt -69.87 157.57 89.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.5 Cg_endo -74.94 135.11 18.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 17' ' ' PRO . 2.4 tttm -34.09 -68.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.1 pm0 -35.21 -56.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.505 HD12 ' CG ' ' A' ' 17' ' ' PRO . 16.8 mt -60.83 -53.74 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 8.8 mtt180 -39.54 -58.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.28 -42.43 30.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.3 mm-40 -68.95 -35.1 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.527 HG13 ' CE1' ' A' ' 28' ' ' TYR . 3.1 t -63.15 -65.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 38.4 mt -39.06 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -68.36 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -52.01 -32.35 33.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.553 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 m-85 -57.8 -33.53 68.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.709 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -82.97 -38.57 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.73 -17.65 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -86.11 -25.05 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 28' ' ' TYR . 72.4 t -69.34 113.33 15.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.3 27.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.95 41.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -75.03 139.65 24.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.807 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.606 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.99 163.31 35.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.31 16.49 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.1 -29.58 10.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.947 HG13 ' CD2' ' A' ' 54' ' ' HIS . 69.2 t -65.5 120.71 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 4.1 tt0 -92.81 112.83 24.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 54' ' ' HIS . 1.2 mp -97.52 140.12 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.8 132.03 37.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 47' ' ' CYS . 2.2 tpt180 -68.06 128.48 36.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 47' ' ' CYS . 72.8 t -94.56 88.24 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.415 ' HA ' ' NH2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -56.75 -45.12 82.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.568 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.83 -48.12 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.577 ' H ' HG12 ' A' ' 44' ' ' VAL . 5.8 t -81.88 113.12 19.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -38.91 -34.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -84.58 152.39 60.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.377 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 75.23 3.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -96.24 107.41 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -98.07 138.37 35.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.628 ' HB ' HD21 ' A' ' 126' ' ' LEU . 33.8 m -136.23 148.57 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.947 ' CD2' HG13 ' A' ' 39' ' ' VAL . 83.1 t60 -134.85 105.66 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.89 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -103.25 132.8 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 63' ' ' ARG . 10.5 m-20 -157.17 165.85 34.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.541 HG12 ' CB ' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -134.26 126.1 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.36 102.32 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.21 -78.53 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.66 24.29 0.3 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.7 mttt -141.54 142.71 33.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.902 HG21 HG21 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -92.77 122.9 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -86.37 120.89 28.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 83' ' ' ARG . 77.3 mt -91.14 138.62 31.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 64.2 m-85 -146.66 121.53 9.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.77 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 83.0 m-85 -125.0 145.68 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -134.25 120.41 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.497 HG12 ' H ' ' A' ' 71' ' ' GLU . 46.3 t -129.51 111.72 17.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -61.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -50.7 -22.15 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.497 ' H ' HG12 ' A' ' 68' ' ' VAL . 18.6 mt-10 66.69 44.27 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -73.16 125.43 90.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.73 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.4 Cg_endo -74.96 -5.89 17.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.5 p -93.03 -44.92 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' A' ' 119' ' ' LEU . 40.8 t -73.51 -50.97 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.709 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -58.62 -43.36 89.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.5 -67.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.878 ' O ' HD22 ' A' ' 82' ' ' LEU . 3.2 t80 -41.6 -55.69 2.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.77 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -43.09 -54.98 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 32' ' ' VAL . . . -53.15 -38.42 56.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' GLU . 5.4 tt -55.77 -61.72 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.878 HD22 ' O ' ' A' ' 78' ' ' PHE . 1.4 mm? -39.7 -65.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.468 ' HA ' HD12 ' A' ' 64' ' ' LEU . 15.2 ttt180 -51.87 -32.96 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 33.7 mm-40 -74.56 -3.26 29.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.432 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -124.37 -41.97 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.977 HD12 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -91.41 -69.67 0.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 0.748 . . . . 0.0 109.269 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.536 ' O ' ' O ' ' A' ' 86' ' ' LEU . 1.1 tt0 45.09 104.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.52 36.91 1.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.77 ' O ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -75.96 -169.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 94' ' ' VAL . 12.8 p -89.27 157.01 48.28 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.98 -9.09 20.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.32 -34.14 14.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.962 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -77.73 -32.34 52.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.977 HG22 HD12 ' A' ' 86' ' ' LEU . 70.6 t -75.98 -20.52 15.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.762 HD21 ' O ' ' A' ' 127' ' ' GLN . 29.2 mt -93.44 -26.74 17.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -84.21 8.37 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 93' ' ' ALA . 47.2 t -94.89 120.44 64.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.32 40.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.27 10.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.9 20.64 10.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.613 ' HD2' HD11 ' A' ' 10' ' ' LEU . 25.3 p90 -61.41 -20.46 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.676 ' HB2' HD13 ' A' ' 107' ' ' LEU . 32.0 p90 -89.64 -2.73 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -77.49 161.58 27.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.544 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 59.42 66.86 2.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 21.9 m-85 -167.52 -94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 174.55 48.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -101.62 -54.12 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.47 -40.93 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.73 -40.27 27.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -91.44 -38.23 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 35.1 m-85 -101.47 104.78 15.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 40.0 p -40.83 161.63 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.417 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.36 20.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.789 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.28 -64.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -52.3 -29.47 23.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' ARG . 5.8 mt -54.79 -50.51 68.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -38.16 -43.5 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.598 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -66.51 -58.97 7.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -41.04 -59.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -48.79 -43.48 38.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 118' ' ' GLY . . . -50.68 -39.85 52.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -50.88 -63.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.537 HD21 HG12 ' A' ' 97' ' ' VAL . 11.9 tp -48.96 -50.84 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 121' ' ' ALA . 12.2 mt -53.8 -54.99 30.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -54.56 17.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.815 ' O ' HG23 ' A' ' 130' ' ' VAL . 1.7 mt -57.15 -47.91 80.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.762 ' O ' HD21 ' A' ' 95' ' ' LEU . 7.0 mt-30 -48.29 -30.42 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.53 -29.53 27.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.89 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 96.1 mt-30 -79.45 -9.16 59.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 126' ' ' LEU . 42.1 t -85.5 -62.26 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 7.1 mtt85 -48.51 -38.79 21.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.506 ' C ' ' CD ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -65.31 -42.22 93.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.541 ' CB ' HG12 ' A' ' 57' ' ' VAL . . . -57.08 -30.83 64.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.14 -44.4 84.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 t -98.21 17.04 19.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.491 0.186 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.54 HG13 ' HD2' ' A' ' 3' ' ' PRO . 47.0 t 66.87 142.03 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.54 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 173.9 13.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.552 1.817 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.01 -55.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 12.2 mttt -38.39 -42.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.63 -68.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -40.08 -29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 6' ' ' LEU . 2.9 mm-40 -79.56 -50.83 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.88 -37.22 76.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.621 HD11 ' HD1' ' A' ' 101' ' ' PHE . 41.8 mt -72.97 -66.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -47.41 -42.29 21.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' CB ' ' O ' ' A' ' 8' ' ' GLN . 55.6 tp -61.39 -52.04 66.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HE2' HD13 ' A' ' 107' ' ' LEU . 38.7 t80 -49.19 -60.63 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -60.42 -30.99 69.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.6 t -73.25 -25.27 60.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LEU . 37.4 mt -75.95 159.2 81.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.01 138.89 23.61 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' PRO . 6.0 tttt -35.0 -69.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -33.48 -56.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLN . 14.4 mt -61.99 -53.44 55.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 11.0 mtt180 -38.57 -49.34 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -51.16 -46.51 62.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -64.99 -44.0 90.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.699 HG12 ' CE2' ' A' ' 28' ' ' TYR . 84.1 t -46.59 -60.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.644 HD22 ' HZ ' ' A' ' 111' ' ' PHE . 88.8 mt -42.78 -40.68 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 26' ' ' LEU . 4.2 mm? -73.73 -53.95 9.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.648 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.6 mt-10 -42.79 -51.09 5.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.699 ' CE2' HG12 ' A' ' 24' ' ' VAL . 6.7 m-85 -49.1 -66.27 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.87 -24.98 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -75.18 -34.06 61.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' TYR . 8.6 mttt -80.48 -33.42 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.518 HG22 ' HA2' ' A' ' 80' ' ' GLY . 44.0 t -43.74 103.27 0.31 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.21 41.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -75.04 153.48 41.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -75.01 147.23 33.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.797 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.96 155.22 43.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.97 125.99 9.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.59 -3.37 36.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.725 HG21 ' HG2' ' A' ' 36' ' ' PRO . 3.2 t -92.77 132.75 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 13.8 tt0 -101.71 118.42 36.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 65' ' ' TYR . 2.3 mp -101.24 151.29 22.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -103.03 118.83 37.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.7 ttt-85 -67.85 140.29 56.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.484 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 59.2 t -91.74 90.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -50.5 -31.63 15.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -26.6 62.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.428 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -97.12 112.1 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.287 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.5 -20.96 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 p -91.17 164.49 24.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 94.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.457 ' HE2' ' HB2' ' A' ' 122' ' ' ALA . 5.6 t80 -124.72 113.0 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -113.75 113.01 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.668 HG12 ' HD1' ' A' ' 66' ' ' PHE . 10.4 m -109.14 165.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 62.1 t60 -158.93 133.86 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.623 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.69 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -129.03 128.19 43.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 14.2 m-20 -144.86 167.49 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' HB1' ' A' ' 133' ' ' ALA . 47.6 t -113.64 105.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.39 101.68 13.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.51 -82.08 1.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.93 14.52 1.73 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.6 mtmt -129.41 161.39 30.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -98.03 126.13 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 10.9 mmt-85 -95.57 138.04 33.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 87' ' ' GLU . 17.5 mt -121.79 144.3 48.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 57.4 m-85 -148.04 124.82 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.668 ' HD1' HG12 ' A' ' 53' ' ' VAL . 67.7 m-85 -124.9 140.1 53.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -123.52 118.96 28.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.608 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.621 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.4 t -131.61 114.32 15.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -62.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -23.56 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.39 43.52 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.41 117.92 48.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.773 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.97 -5.55 16.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.8 p -91.46 -34.89 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 t -92.47 -45.17 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.621 ' HG3' HG21 ' A' ' 68' ' ' VAL . 12.7 tttt -62.21 -42.58 99.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -38.82 -68.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 1.8 t80 -45.29 -50.17 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.723 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.6 -48.87 19.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.518 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -62.7 -30.3 76.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.43 -46.62 59.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 79' ' ' ALA . 3.1 mt -58.57 -36.37 73.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -79.08 -14.84 58.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -95.69 -0.17 51.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.557 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -133.34 -37.21 0.25 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.748 HD11 HG21 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -96.85 -70.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 83' ' ' ARG . 10.5 tm-20 -30.63 114.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.85 0.39 57.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.867 ' O ' HG13 ' A' ' 62' ' ' VAL . 24.4 mm-40 -96.26 -172.77 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.507 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -92.4 161.05 33.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.628 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.01 -12.78 21.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -94.34 -35.27 12.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.06 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 62' ' ' VAL . 25.0 t -67.93 -55.84 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 91' ' ' PRO . 3.5 mm? -50.37 -35.48 28.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.46 -13.42 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.748 HG21 HD11 ' A' ' 86' ' ' LEU . 46.7 t -84.52 114.02 52.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 173.83 13.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.869 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.4 Cg_endo -74.96 0.76 8.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.96 40.53 1.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.621 ' HD1' HD11 ' A' ' 10' ' ' LEU . 4.8 p90 -74.5 -14.31 60.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.792 ' HB2' HD23 ' A' ' 107' ' ' LEU . 47.0 p90 -92.68 -20.74 20.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -46.77 133.94 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 67.81 76.42 0.41 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.8 m-85 -170.36 -50.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 108' ' ' GLU . . . 161.93 -46.07 0.36 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.792 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -38.9 -31.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -66.17 -54.51 24.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -79.84 -11.4 59.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.606 ' CD1' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -86.96 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.644 ' HZ ' HD22 ' A' ' 25' ' ' LEU . 60.4 m-85 -91.15 129.73 37.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 33.1 p -39.21 159.03 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.05 20.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.83 -57.58 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -19.26 25.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 108' ' ' GLU . 6.5 mt -68.29 -48.57 64.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -39.26 -42.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -63.19 -49.56 70.15 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.7 mp -50.61 -35.94 32.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 0.802 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -65.84 -66.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.531 ' HB1' ' HE ' ' A' ' 125' ' ' ARG . . . -32.51 -49.59 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.457 ' HB2' ' HE2' ' A' ' 51' ' ' PHE . . . -41.31 -57.45 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.2 tm? -61.72 -52.96 62.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 99' ' ' PRO . 10.5 mp -41.64 -58.22 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.531 ' HE ' ' HB1' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -53.48 -64.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.69 HD22 ' HB2' ' A' ' 55' ' ' ALA . 25.2 mt -41.99 -53.81 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.523 ' HG3' HD22 ' A' ' 123' ' ' LEU . 1.1 mt-30 -55.79 -35.11 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.59 -11.46 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.574 ' HG2' ' HB3' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -98.35 -32.67 11.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 133' ' ' ALA . 55.4 t -69.27 -45.21 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.66 -33.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.873 ' O ' HG22 ' A' ' 135' ' ' THR . 0.2 OUTLIER -72.52 -49.31 33.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.516 ' HB1' HG23 ' A' ' 57' ' ' VAL . . . -50.99 -26.12 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 91' ' ' PRO . 25.8 mt -58.0 -27.85 63.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.873 HG22 ' O ' ' A' ' 132' ' ' LYS . 9.0 t -89.69 -3.15 58.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.527 0.203 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.66 HG13 HD12 ' A' ' 6' ' ' LEU . 55.0 t -50.83 141.67 17.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.542 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.97 173.66 14.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.407 ' C ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.95 -58.3 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -31.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.66 HD12 HG13 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -85.48 -67.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -43.84 -28.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 6' ' ' LEU . 5.0 mm100 -66.48 -52.66 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' HB1' ' OH ' ' A' ' 28' ' ' TYR . . . -56.76 -52.27 65.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 101' ' ' PHE . 81.5 mt -57.09 -56.31 23.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.04 -54.29 44.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.11 -48.64 61.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 14.4 t80 -50.24 -62.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -56.45 -25.3 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -77.82 -34.98 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.2 mt -73.62 159.18 85.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.476 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.3 Cg_endo -74.96 136.63 20.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -34.77 -69.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.8 pm0 -34.9 -57.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' CG ' ' A' ' 17' ' ' PRO . 15.5 mt -59.5 -55.07 39.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' LEU . 10.6 mtt180 -37.59 -56.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -43.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.7 mm-40 -69.14 -44.48 72.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG1' ' CE1' ' A' ' 28' ' ' TYR . 79.5 t -48.05 -64.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.525 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 74.5 mt -40.31 -42.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.9 mm? -66.0 -55.67 15.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.1 mt-10 -45.81 -50.97 13.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.583 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.5 m-30 -45.23 -55.2 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -58.82 -29.8 67.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -71.57 -27.4 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.61 31.69 1.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.837 HG22 ' HD2' ' A' ' 83' ' ' ARG . 54.7 t -121.41 102.03 43.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 161.41 38.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.2 Cg_endo -74.99 155.86 43.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.3 Cg_endo -74.99 155.05 42.94 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 156.09 43.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.05 121.01 6.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.84 -31.85 4.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.486 HG21 ' HG2' ' A' ' 36' ' ' PRO . 54.1 t -67.24 126.92 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -95.12 118.64 32.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 53' ' ' VAL . 2.0 mp -104.28 151.21 23.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -103.42 126.39 50.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 17.8 ttp180 -63.13 144.86 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 51' ' ' PHE . 89.5 t -97.22 91.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -55.26 -42.87 74.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.58 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -49.68 -24.47 2.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 t -102.22 129.7 48.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -53.73 -40.35 66.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.8 p -81.93 153.9 69.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.97 76.07 3.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.7 t80 -92.69 100.88 13.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 6.4 m-85 -90.45 138.76 31.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.653 HG12 ' HD1' ' A' ' 66' ' ' PHE . 19.6 m -140.62 160.98 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.46 ' N ' HD23 ' A' ' 41' ' ' LEU . 75.9 t60 -151.56 121.53 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -112.8 136.56 52.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' ARG . 16.4 m-20 -165.09 168.99 16.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.804 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.7 OUTLIER -136.42 126.69 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -121.16 101.86 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.1 -82.11 0.72 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.05 19.89 0.65 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 2.3 mtmp? -136.96 149.76 47.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.928 HG23 HD11 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -95.58 129.84 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.674 ' C ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -96.48 125.36 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.928 HD11 HG23 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -108.57 141.24 40.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 93.7 m-85 -141.66 119.65 12.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.902 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 33.1 m-85 -118.47 136.59 53.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -127.97 116.72 20.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.47 HG12 ' H ' ' A' ' 71' ' ' GLU . 14.9 t -125.32 113.1 25.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -62.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -54.66 -21.52 10.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.47 ' H ' HG12 ' A' ' 68' ' ' VAL . 3.7 mt-10 66.26 39.82 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -63.54 132.97 95.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.812 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.5 Cg_endo -75.0 -9.47 20.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.6 p -96.29 -40.27 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.486 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 45.3 t -73.33 -36.79 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.658 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.8 tttp -78.27 -46.05 21.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.812 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -40.09 -64.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.959 ' CD1' HD13 ' A' ' 119' ' ' LEU . 3.2 t80 -46.29 -57.4 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.902 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -39.47 -57.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 83' ' ' ARG . . . -52.5 -35.05 43.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.748 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.3 tt -63.65 -41.37 98.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.572 ' CA ' HD12 ' A' ' 86' ' ' LEU . 2.9 mm? -61.85 -63.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.837 ' HD2' HG22 ' A' ' 32' ' ' VAL . 6.3 ptp180 -54.67 -38.48 66.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 8.4 mm-40 -37.22 -55.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.714 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -125.14 47.39 1.02 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.75 HD21 HG21 ' A' ' 97' ' ' VAL . 30.7 mt -155.92 -42.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.824 ' HA ' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -62.12 112.17 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.9 -8.59 63.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 1.097 ' OE1' ' HB3' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -73.71 -166.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.264 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.677 ' O ' ' OE1' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -92.31 164.82 21.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.011 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.58 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -11.37 21.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.31 -54.7 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 1.097 ' HB3' ' OE1' ' A' ' 89' ' ' GLU . . . -53.54 -26.0 19.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.99 HG23 ' CG ' ' A' ' 89' ' ' GLU . 2.3 t -72.36 -56.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.747 HD21 ' HB ' ' A' ' 130' ' ' VAL . 4.4 mm? -57.56 -33.89 68.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -58.51 -13.83 6.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.75 HG21 HD21 ' A' ' 86' ' ' LEU . 45.2 t -83.02 116.55 64.79 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 174.29 13.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.857 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -75.01 -22.44 14.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.05 36.41 4.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.539 ' O ' HD13 ' A' ' 10' ' ' LEU . 31.4 p90 -70.97 -7.56 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.643 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 5.3 p90 -99.3 -16.35 18.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -53.38 149.92 7.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.559 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 57.35 75.01 0.28 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 7.8 m-85 -172.64 -46.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.1 -34.59 1.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -58.74 -16.58 17.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.824 ' HA ' HD11 ' A' ' 116' ' ' LEU . 3.9 tt0 -62.92 -39.68 95.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -94.7 -46.66 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.425 ' CD2' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -43.06 -57.48 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.49 ' HE2' HD23 ' A' ' 107' ' ' LEU . 95.9 m-85 -88.05 14.98 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 111' ' ' PHE . 1.5 p 53.91 168.39 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.509 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -74.96 -37.15 2.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.797 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -69.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -39.06 -44.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.824 HD11 ' HA ' ' A' ' 108' ' ' GLU . 9.6 mt -43.4 -57.98 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.509 ' CD ' ' O ' ' A' ' 113' ' ' PRO . 1.7 mpt_? -38.79 -57.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -55.92 -36.86 68.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.959 HD13 ' CD1' ' A' ' 78' ' ' PHE . 10.6 mt -66.48 -53.35 36.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 121' ' ' ALA . 3.2 mt-10 -42.82 -62.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.581 ' HB1' ' HE ' ' A' ' 125' ' ' ARG . . . -30.97 -45.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -46.42 -65.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.585 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.3 tm? -57.07 -50.96 71.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 99' ' ' PRO . 11.2 mp -43.36 -58.73 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.581 ' HE ' ' HB1' ' A' ' 121' ' ' ALA . 13.7 mtt-85 -52.88 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.52 HD21 ' HB ' ' A' ' 53' ' ' VAL . 4.6 mt -39.63 -58.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.6 ' HB3' HD13 ' A' ' 95' ' ' LEU . 3.8 mt-30 -51.37 -39.85 57.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -71.7 -23.03 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.572 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 19.7 mt-30 -83.92 -45.0 13.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.747 ' HB ' HD21 ' A' ' 95' ' ' LEU . 93.0 t -58.2 -50.59 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.46 ' HG3' HD11 ' A' ' 95' ' ' LEU . 7.6 mtp180 -42.42 -35.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 136' ' ' SER . 14.1 mmmt -63.21 -45.37 91.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.804 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -53.82 -47.05 71.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 134' ' ' LEU . 6.8 mp -49.59 -39.74 36.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.4 t -120.38 40.18 3.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' LYS . 29.5 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.038 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.521 0.2 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.492 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 22.3 t -143.07 141.4 19.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.492 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.0 175.61 11.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.809 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.04 -55.9 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -38.9 -43.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.521 HD22 ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.88 -69.91 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -39.26 -30.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' ' C ' ' A' ' 6' ' ' LEU . 1.3 mm-40 -73.86 -57.73 3.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -26.71 60.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.598 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 59.4 mt -82.29 -57.65 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.89 -45.24 67.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' LEU . 54.6 tp -58.62 -41.46 85.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 30.2 t80 -61.84 -64.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -54.81 -26.16 33.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.9 t -80.43 -37.29 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 20.8 mt -67.18 157.46 85.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.0 140.19 25.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -35.67 -69.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -32.94 -56.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' GLN . 13.9 mt -61.54 -53.82 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' NE ' ' O ' ' A' ' 16' ' ' LEU . 9.9 mtt180 -38.54 -48.31 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -46.78 -46.34 20.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.055 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 20' ' ' LEU . 2.7 mm100 -66.21 -49.67 66.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.097 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG11 ' HD1' ' A' ' 13' ' ' PHE . 16.9 t -40.66 -65.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.617 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 61.8 mt -39.49 -51.83 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 26' ' ' LEU . 3.4 mm? -57.86 -57.5 12.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.5 mt-10 -38.33 -60.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.814 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.8 m-30 -48.76 -47.37 41.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -60.54 -16.9 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -93.49 -23.32 18.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -97.17 41.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 28' ' ' TYR . 57.4 t -125.86 90.76 49.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 156.31 43.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.21 42.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.455 ' CG ' HD11 ' A' ' 41' ' ' LEU . 18.3 Cg_endo -75.07 169.28 22.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.87 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.96 160.36 40.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.68 3.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.01 -58.4 0.71 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.87 HG11 ' HD2' ' A' ' 36' ' ' PRO . 11.5 p -42.08 137.65 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -96.29 136.25 37.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD11 ' CG ' ' A' ' 35' ' ' PRO . 1.1 mt -118.73 139.67 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.11 128.45 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -70.87 124.8 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -74.96 90.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' CYS . 17.2 m-70 -64.86 -43.31 93.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.643 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.486 ' CB ' ' HB2' ' A' ' 121' ' ' ALA . 7.5 mm-40 -38.29 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -105.64 156.5 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -95.43 47.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -148.59 152.87 38.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 59.67 5.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -102.48 108.94 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.46 ' O ' HG13 ' A' ' 53' ' ' VAL . 3.2 m-85 -102.07 158.33 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.952 ' HB ' HD21 ' A' ' 126' ' ' LEU . 20.6 m -154.46 156.1 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.447 ' N ' HD23 ' A' ' 41' ' ' LEU . 83.0 t60 -145.76 114.14 6.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.664 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.672 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -100.84 136.71 40.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 63' ' ' ARG . 11.6 m-20 -164.63 168.64 17.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.779 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.6 OUTLIER -135.41 126.05 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.81 101.41 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.4 -83.31 0.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.85 18.36 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 24.1 mtmt -138.08 154.12 49.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.8 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 89' ' ' GLU . 1.1 m -94.86 125.25 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.55 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 30.3 mmt180 -88.51 102.67 15.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 64' ' ' LEU . 6.8 mt -81.64 126.68 32.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 75.2 m-85 -128.28 118.82 23.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.599 ' CD1' HG12 ' A' ' 53' ' ' VAL . 66.9 m-85 -119.36 133.46 55.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -133.43 112.17 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.609 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.576 HG13 ' HD2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -136.66 117.5 11.11 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.1 Cg_endo -75.04 -64.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' PRO . 35.1 t70 -39.24 -29.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.55 ' H ' HG22 ' A' ' 68' ' ' VAL . 3.3 mt-10 68.37 18.9 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 1.035 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -40.05 127.71 1.63 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.36 19.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.4 p -97.68 -32.49 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 1.035 HG22 ' HB3' ' A' ' 72' ' ' ALA . 8.4 m -82.22 -47.31 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.606 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -59.91 -46.75 88.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.19 -66.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CD1' HD13 ' A' ' 119' ' ' LEU . 2.3 t80 -43.53 -47.24 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.587 ' HB1' ' CG ' ' A' ' 66' ' ' PHE . . . -60.88 -55.82 28.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.615 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -54.66 -18.5 10.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.1 -57.79 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.448 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 8.9 mt -54.31 -31.36 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 27.4 ttt85 -82.28 -13.1 57.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 4.6 mm-40 -97.59 -1.97 42.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.483 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -127.72 -37.51 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.023 HD12 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -93.42 -69.78 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.68 ' C ' ' O ' ' A' ' 86' ' ' LEU . 6.9 tp10 -7.04 111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.68 1.89 87.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.897 ' O ' HG13 ' A' ' 62' ' ' VAL . 12.9 mm-40 -81.57 169.22 17.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.424 ' HB3' ' HD2' ' A' ' 91' ' ' PRO . 1.2 m -75.87 163.17 68.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.051 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.786 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -13.15 21.43 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.57 -49.81 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -59.29 -22.16 60.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.023 HG22 HD12 ' A' ' 86' ' ' LEU . 2.5 t -77.48 -44.68 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.828 HD11 ' HG3' ' A' ' 131' ' ' ARG . 4.0 mm? -66.72 -38.16 86.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 1' ' ' MET . 3.1 mm-40 -57.26 -20.64 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.838 HG21 HD11 ' A' ' 86' ' ' LEU . 61.8 t -65.9 117.87 46.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.01 167.91 26.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.641 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.2 Cg_endo -75.03 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.96 53.84 0.63 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.448 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 7.1 p90 -78.88 4.25 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -112.43 -1.44 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -52.72 -56.04 18.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.586 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . -76.73 53.82 3.31 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.598 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 98.2 m-85 -164.44 -163.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -125.42 58.9 0.66 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 10' ' ' LEU . 4.5 mt -99.2 -32.97 10.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -64.4 -36.76 85.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -48.71 -23.94 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -105.66 -48.47 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -91.54 117.44 29.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.8 p -53.39 163.38 0.99 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.28 16.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -50.84 10.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 118' ' ' GLY . 0.2 OUTLIER -63.84 -42.04 97.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.95 -50.58 14.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -50.9 -32.22 19.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -85.9 -18.68 59.23 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.513 HD13 ' CD1' ' A' ' 78' ' ' PHE . 7.6 mt -85.82 -55.03 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 0.804 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.51 ' O ' HD22 ' A' ' 124' ' ' LEU . 21.3 mm-40 -41.35 -41.84 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.486 ' HB2' ' CB ' ' A' ' 46' ' ' GLU . . . -41.59 -50.14 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 121' ' ' ALA . . . -36.47 -48.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 31.9 tp -66.67 -68.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.681 ' H ' HD22 ' A' ' 124' ' ' LEU . 1.5 mm? -40.85 -51.4 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.593 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 3.0 ttt85 -56.35 -65.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.952 HD21 ' HB ' ' A' ' 53' ' ' VAL . 16.7 mt -45.44 -55.87 5.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.672 ' HB3' HD13 ' A' ' 95' ' ' LEU . 93.5 mt-30 -48.84 -34.67 12.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -65.54 -33.49 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.671 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 4.1 mt-30 -77.42 -45.25 26.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.672 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 60.7 t -55.56 -50.81 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.828 ' HG3' HD11 ' A' ' 95' ' ' LEU . 4.1 mtt180 -44.93 -34.06 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 10.5 mmmm -63.01 -41.48 99.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.779 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -57.94 -35.67 71.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.3 mt -55.16 -42.97 73.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 66.9 p -104.39 17.4 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.437 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.039 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.536 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.511 0.196 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.878 HG12 ' HA ' ' A' ' 97' ' ' VAL . 5.0 m -132.47 163.27 51.78 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.0 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.02 -56.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 6.6 mmmt -35.98 -35.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -85.81 -65.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 0.3 OUTLIER -40.53 -31.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.36 -59.19 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.45 -34.55 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.661 HD11 ' HD2' ' A' ' 101' ' ' PHE . 76.4 mt -74.73 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -50.77 -50.0 56.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.871 HD13 ' N ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -51.85 -69.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.871 ' N ' HD13 ' A' ' 12' ' ' LEU . 33.4 t80 -37.54 -59.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -52.92 -41.14 64.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . 14.9 t -68.75 -34.86 76.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.746 ' CD1' HD11 ' A' ' 12' ' ' LEU . 20.8 mt -65.06 154.2 87.3 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.556 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.04 138.0 22.35 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -34.79 -69.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -34.39 -55.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.556 HD12 ' CG ' ' A' ' 17' ' ' PRO . 14.8 mt -63.05 -51.43 66.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 9.1 mtt180 -41.4 -55.34 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -41.7 -33.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' LEU . 4.0 mt-30 -74.81 -47.99 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.424 HG21 HD12 ' A' ' 16' ' ' LEU . 66.9 t -47.79 -62.98 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 37.6 mt -43.16 -43.19 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 26' ' ' LEU . 24.4 mt -65.82 -46.77 77.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 30' ' ' ALA . 3.2 mt-10 -54.43 -56.87 14.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.848 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.3 m-30 -42.71 -53.22 4.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -60.52 -32.25 71.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -72.01 -29.6 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 0.3 OUTLIER -95.63 45.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 28' ' ' TYR . 95.5 t -136.03 96.14 13.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.67 39.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.14 43.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 160.86 39.52 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.556 1.819 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.841 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.05 164.42 33.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.35 9.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.75 55.88 0.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.841 HG11 ' HD2' ' A' ' 36' ' ' PRO . 11.4 p -161.82 143.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -112.34 127.3 55.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.15 155.3 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -116.31 118.78 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -54.93 141.43 33.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 51' ' ' PHE . 97.7 t -99.11 93.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.36 -35.95 78.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.06 -23.77 14.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -102.96 156.62 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.49 -77.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.3 p -58.67 160.88 9.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.04 80.24 2.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.779 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.3 t80 -88.75 103.89 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 11.7 m-85 -90.76 129.11 36.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.855 ' HB ' HD21 ' A' ' 126' ' ' LEU . 24.4 m -135.58 157.65 39.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.451 ' CD2' ' CG2' ' A' ' 39' ' ' VAL . 80.7 t60 -158.25 134.13 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.603 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.66 134.03 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 5.4 m-20 -139.37 173.64 11.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 93.2 t -132.26 122.15 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.03 112.21 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.97 16.34 58.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.75 -4.55 84.99 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -104.73 173.82 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 89' ' ' GLU . 1.1 m -109.41 127.31 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.594 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -87.8 121.12 29.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 64' ' ' LEU . 2.2 mp -97.71 141.52 30.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 66.2 m-85 -146.42 119.05 8.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.594 ' HD1' HG12 ' A' ' 53' ' ' VAL . 40.4 m-85 -128.94 139.23 52.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -138.15 113.16 9.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.604 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.4 t -120.94 119.83 29.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -57.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -16.35 60.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 67.1 26.02 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -42.37 116.39 1.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.542 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -75.04 -10.5 21.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 p -94.77 -24.71 16.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.508 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 23.9 t -94.03 -45.3 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.604 ' HG3' HG21 ' A' ' 68' ' ' VAL . 2.2 tttt -63.46 -40.41 97.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -44.13 -65.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 3.5 t80 -45.26 -45.0 11.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.582 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -60.17 -47.2 86.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.37 -25.57 62.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD21 HD21 ' A' ' 10' ' ' LEU . 3.0 tp -72.43 -49.92 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.482 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 5.9 mt -57.85 -31.68 66.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 13.7 ttt85 -84.0 -11.83 56.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -97.37 -0.9 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.499 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -130.5 -39.0 0.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.005 HD12 HG12 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -93.18 -69.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.262 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 86' ' ' LEU . 1.3 tt0 -1.22 105.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.14 8.42 81.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.902 ' O ' HG13 ' A' ' 62' ' ' VAL . 23.4 mm-40 -89.71 166.68 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.991 ' O ' HG13 ' A' ' 94' ' ' VAL . 97.3 p -79.37 158.76 73.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.715 ' HA ' HG22 ' A' ' 94' ' ' VAL . 18.1 Cg_endo -75.06 -8.04 19.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.37 -32.22 17.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -85.26 -16.75 39.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.005 HG12 HD12 ' A' ' 86' ' ' LEU . 9.0 m -87.54 -47.83 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 91' ' ' PRO . 1.9 mt -57.4 -42.15 81.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.536 ' CG ' ' O ' ' A' ' 1' ' ' MET . 12.8 pt-20 -56.99 -38.82 73.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.878 ' HA ' HG12 ' A' ' 2' ' ' VAL . 49.2 t -57.02 116.19 12.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.416 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.01 172.17 16.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -13.9 21.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.5 36.82 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.661 ' HD2' HD11 ' A' ' 10' ' ' LEU . 29.7 p90 -74.42 -10.59 59.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.87 ' HB2' HD23 ' A' ' 107' ' ' LEU . 37.5 p90 -94.51 -14.83 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -50.69 137.26 20.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 61.3 78.2 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 4.6 m-85 -171.16 -47.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.98 -40.28 0.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.87 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -48.2 -53.98 15.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.66 ' HA ' HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -48.04 -29.6 3.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.55 -60.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.432 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -45.5 -64.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.601 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 17.6 m-85 -80.2 139.79 36.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 112' ' ' THR . 27.6 p -62.86 160.85 33.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -10.39 21.15 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.94 -53.5 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -67.83 -27.12 66.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.672 HD22 ' CZ ' ' A' ' 102' ' ' TYR . 4.4 mt -61.14 -48.09 83.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -39.27 -46.46 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' LEU . . . -69.29 -56.69 8.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.577 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.4 mp -39.91 -35.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.25 -53.45 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.694 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -42.52 -44.29 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.01 -65.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.577 HD21 ' O ' ' A' ' 97' ' ' VAL . 42.3 tp -49.0 -57.53 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 121' ' ' ALA . 4.3 mt -45.57 -61.83 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.3 OUTLIER -51.1 -59.36 4.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.855 HD21 ' HB ' ' A' ' 53' ' ' VAL . 6.1 mt -47.14 -47.14 23.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 63.5 mt-30 -64.17 -26.06 68.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -77.16 -18.93 57.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -89.87 -25.68 20.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 126' ' ' LEU . 60.0 t -76.92 -46.83 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -47.91 -26.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 135' ' ' THR . 17.3 mmmt -77.6 -38.2 48.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -65.82 -36.12 82.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.96 -41.93 68.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 132' ' ' LYS . 12.8 t -85.44 11.56 10.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 17.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.02 174.55 12.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -75.04 -53.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' PRO . 2.7 mmmt -38.3 -38.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.595 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -84.71 -61.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -41.14 -33.75 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -49.56 60.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.683 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -58.44 -49.25 77.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.872 HD13 ' CE2' ' A' ' 105' ' ' TYR . 71.6 mt -62.28 -60.28 3.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -47.58 -46.6 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LEU . 43.7 tp -62.58 -36.58 83.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.41 -60.74 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -56.62 -18.16 11.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -91.14 -38.35 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.537 HD13 HG21 ' A' ' 24' ' ' VAL . 19.7 mt -66.3 156.08 86.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.492 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.3 Cg_endo -75.0 134.05 17.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 17' ' ' PRO . 38.7 tttt -34.78 -68.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.1 pt-20 -35.41 -48.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' A' ' 17' ' ' PRO . 13.6 mt -69.63 -48.99 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 18' ' ' LYS . 9.6 mtt85 -39.99 -39.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 t -63.44 -52.07 63.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.63 -27.81 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.537 HG21 HD13 ' A' ' 16' ' ' LEU . 51.8 t -68.99 -54.32 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.548 HD12 ' CD1' ' A' ' 110' ' ' PHE . 13.9 mt -51.78 -33.71 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.71 -61.14 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.3 mt-10 -41.73 -51.93 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -42.25 -57.73 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -52.85 -38.2 61.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -64.49 -23.91 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' CZ ' ' A' ' 83' ' ' ARG . 0.8 OUTLIER -100.03 41.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' HD3' ' A' ' 83' ' ' ARG . 55.5 t -125.89 97.06 36.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.51 42.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.12 42.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 165.05 32.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.764 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.96 159.53 41.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.39 4.57 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.99 -57.07 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.764 HG11 ' HD2' ' A' ' 36' ' ' PRO . 7.3 p -39.9 142.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -108.33 127.31 53.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.1 143.83 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -101.02 130.11 46.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.41 146.48 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.481 HG22 ' CD ' ' A' ' 125' ' ' ARG . 89.1 t -103.57 91.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -48.43 71.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.662 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.11 -41.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.481 ' H ' HG12 ' A' ' 44' ' ' VAL . 33.2 t -87.11 144.92 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -60.57 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -62.35 155.49 66.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.01 74.46 4.0 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 7.4 t80 -87.93 119.1 27.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 10.6 m-85 -108.67 132.88 53.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.74 ' HB ' HD21 ' A' ' 126' ' ' LEU . 21.6 m -133.64 161.69 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 80.9 t60 -159.4 112.95 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 126' ' ' LEU . . . -102.12 140.02 36.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' ARG . 30.1 m-20 -165.04 170.45 15.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.989 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -135.34 124.43 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.34 114.5 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.58 -79.73 1.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.04 26.22 0.36 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 13.9 mttp -141.87 155.69 45.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 89' ' ' GLU . 22.4 t -84.02 153.48 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 3.0 mmt-85 -130.77 102.13 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 8.4 mt -86.08 142.07 28.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 75.0 m-85 -143.56 120.01 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.605 ' HD1' HG12 ' A' ' 53' ' ' VAL . 96.0 m-85 -123.57 153.35 40.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -142.11 112.38 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.627 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.413 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.9 t -111.94 117.41 48.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.416 ' CG ' ' HG2' ' A' ' 50' ' ' PRO . 18.1 Cg_endo -75.04 -52.8 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -77.91 0.7 23.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 5.0 pt-20 46.83 38.06 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.947 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -52.99 139.33 43.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.628 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -74.99 -36.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.811 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.5 p -78.28 -27.2 47.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.947 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 37.2 t -80.33 -47.21 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.542 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 8.8 tttt -68.51 -43.7 76.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -40.07 -67.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.706 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 43.4 t80 -53.72 -58.31 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -40.72 -36.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -76.08 -47.35 11.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.041 HD22 ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.19 -32.45 64.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 81' ' ' LEU . 56.0 mt -63.66 -53.44 51.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -71.7 -30.46 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.683 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -53.26 -33.62 53.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.495 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -127.51 40.52 1.74 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.77 HD22 HG22 ' A' ' 94' ' ' VAL . 76.7 mt -154.48 -44.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.91 108.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.245 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.66 -20.17 39.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.93 ' O ' HG23 ' A' ' 62' ' ' VAL . 73.1 mm-40 -62.65 -179.03 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.517 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 1.5 m -89.29 160.71 41.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.45 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.0 -11.53 21.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.73 -35.68 12.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.712 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -74.1 -36.17 64.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.77 HG22 HD22 ' A' ' 86' ' ' LEU . 15.6 t -69.16 -22.42 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.745 HD21 ' O ' ' A' ' 127' ' ' GLN . 8.5 mt -88.58 -34.69 17.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.05 -10.78 32.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 93' ' ' ALA . 48.5 t -75.57 127.75 85.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.79 32.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.463 1.77 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.45 11.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.99 57.08 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.595 ' CE1' HD11 ' A' ' 6' ' ' LEU . 28.5 p90 -87.7 3.45 47.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.768 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 2.5 p90 -109.23 9.24 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -85.53 -37.25 19.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . -81.18 49.98 4.1 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.872 ' CE2' HD13 ' A' ' 10' ' ' LEU . 65.5 m-85 -165.12 -109.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -168.15 45.18 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.524 HD21 HD21 ' A' ' 25' ' ' LEU . 1.9 mt -101.33 -45.25 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 1.019 ' HA ' HD11 ' A' ' 116' ' ' LEU . 2.1 tt0 -50.81 -43.36 58.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -3.84 20.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.548 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -102.41 -42.48 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.511 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 37.4 m-85 -104.36 16.62 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.443 ' O ' ' O ' ' A' ' 111' ' ' PHE . 4.7 p 54.28 164.87 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.419 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.13 20.79 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -86.19 -68.01 0.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.5 ttm180 -42.43 -31.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 1.019 HD11 ' HA ' ' A' ' 108' ' ' GLU . 25.8 mt -62.09 -47.58 83.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 116' ' ' LEU . 25.9 mtt180 -35.54 -49.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -71.57 -55.03 7.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.71 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -48.95 -42.54 37.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.455 ' CG ' ' OH ' ' A' ' 102' ' ' TYR . 22.5 mt-10 -57.63 -60.04 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -38.73 -33.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -54.62 -57.1 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 120' ' ' GLU . 16.3 tp -60.05 -61.99 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.7 mt -41.03 -53.03 3.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.481 ' CD ' HG22 ' A' ' 44' ' ' VAL . 30.3 mtt85 -55.36 -64.52 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.74 HD21 ' HB ' ' A' ' 53' ' ' VAL . 5.7 mt -45.15 -51.98 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.745 ' O ' HD21 ' A' ' 95' ' ' LEU . 7.4 mt-30 -51.54 -30.31 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -80.03 -24.17 40.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.497 ' HA ' ' CD ' ' A' ' 132' ' ' LYS . 7.5 mt-30 -85.29 -18.27 34.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 126' ' ' LEU . 26.5 t -77.89 -51.2 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 130' ' ' VAL . 13.2 mtp85 -35.39 -38.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' A' ' 129' ' ' GLN . 0.1 OUTLIER -65.49 -53.99 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.231 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.989 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -43.8 -47.66 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.236 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.444 ' CD1' HG12 ' A' ' 130' ' ' VAL . 8.3 mp -44.58 -45.03 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.589 ' O ' HG23 ' A' ' 135' ' ' THR . 9.9 t -125.0 43.19 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 132' ' ' LYS . 44.3 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.622 ' CG1' HD12 ' A' ' 6' ' ' LEU . 21.9 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 174.48 12.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.441 1.758 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.94 -58.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -38.06 -31.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.622 HD12 ' CG1' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -86.26 -68.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -41.5 -31.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -65.77 -50.98 62.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.2 -51.23 70.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 92.9 mt -59.13 -54.61 45.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -53.24 -44.13 67.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' LEU . 33.4 tp -67.56 -36.81 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 21' ' ' ARG . 13.7 t80 -56.45 -63.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.2 ttpt -57.19 -23.32 46.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -84.88 -24.0 28.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.61 HD13 HG21 ' A' ' 24' ' ' VAL . 19.7 mt -75.39 161.75 75.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.586 ' HG2' HD13 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -75.0 140.18 25.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.464 1.77 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' GLU . 5.9 tttm -36.29 -68.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.79 ' HG3' HD12 ' A' ' 20' ' ' LEU . 1.6 tp10 -33.37 -48.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.79 HD12 ' HG3' ' A' ' 19' ' ' GLU . 9.6 mp -72.42 -48.83 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.485 ' HB3' ' CE2' ' A' ' 110' ' ' PHE . 37.7 mtt180 -38.19 -31.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -90.55 -41.96 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -62.67 -51.83 65.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.61 HG21 HD13 ' A' ' 16' ' ' LEU . 18.7 t -44.85 -53.07 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.62 HD13 ' CE2' ' A' ' 111' ' ' PHE . 48.0 mt -48.43 -45.45 36.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 26' ' ' LEU . 7.7 mt -59.78 -58.85 6.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.4 mt-10 -47.16 -54.69 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 2.9 m-30 -40.65 -47.1 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -60.63 -42.78 97.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -61.05 -19.94 61.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.498 ' O ' ' CZ ' ' A' ' 83' ' ' ARG . 1.5 mptp? -100.47 38.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 28' ' ' TYR . 79.3 t -122.2 94.04 48.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.7 42.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -74.97 155.75 43.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.1 Cg_endo -75.03 168.09 25.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.813 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.842 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.97 158.36 42.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 112.42 3.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.24 -57.78 0.72 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.842 HG11 ' HD2' ' A' ' 36' ' ' PRO . 14.3 p -39.98 141.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -101.98 141.88 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.51 145.32 50.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -100.01 123.06 43.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -60.16 138.57 57.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 51' ' ' PHE . 96.0 t -88.09 91.02 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -55.82 -47.28 77.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -45.93 -24.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' GLN . 1.8 t -118.86 100.15 7.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' CYS . 11.2 mt-30 -37.33 -42.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 33.0 p -52.58 146.78 16.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' THR . 18.3 Cg_endo -74.96 65.43 6.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.4 t80 -105.52 103.08 12.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -100.61 150.28 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.717 HG12 ' CD1' ' A' ' 66' ' ' PHE . 30.3 m -143.21 159.24 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.426 ' CD2' ' CG2' ' A' ' 39' ' ' VAL . 86.3 t60 -149.39 129.88 13.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.809 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -117.9 136.08 53.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 74.9 m-20 -144.59 174.66 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.8 t -130.36 115.07 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.98 125.06 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.07 34.98 89.91 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.15 3.0 55.43 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -114.43 154.79 27.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.751 HG23 HD12 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -96.18 127.36 48.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.536 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 2.5 mmm-85 -93.58 108.71 20.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.81 HD13 ' HA ' ' A' ' 87' ' ' GLU . 6.8 mp -82.24 133.49 35.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 49.3 m-85 -138.04 119.05 14.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.717 ' CD1' HG12 ' A' ' 53' ' ' VAL . 60.1 m-85 -117.93 149.98 40.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -145.87 114.38 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -138.89 112.57 8.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.96 -63.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.8 OUTLIER -39.29 -28.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' PRO . 18.4 mt-10 67.64 32.42 5.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 1.021 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -51.3 134.63 32.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.04 -10.73 21.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.567 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -97.81 -54.44 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 1.021 HG22 ' HB3' ' A' ' 72' ' ' ALA . 5.0 m -54.2 -49.98 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.781 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.5 tttt -60.99 -45.15 95.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 74' ' ' THR . . . -36.66 -68.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.778 ' CD1' HD23 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -45.52 -54.24 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -40.34 -50.66 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 84' ' ' GLU . . . -62.2 -34.63 89.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.778 HD23 ' CD1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -66.35 -42.0 88.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 3.2 mm? -66.44 -57.48 7.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 31' ' ' LYS . 1.1 ptm180 -64.39 -12.11 39.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.515 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 3.8 mm-40 -71.28 -34.75 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.681 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -141.86 46.8 0.87 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 85' ' ' GLY . 49.1 mt -155.81 -44.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.81 ' HA ' HD13 ' A' ' 64' ' ' LEU . 7.3 tm-20 -51.08 111.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.18 -14.01 66.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.697 ' O ' HG13 ' A' ' 62' ' ' VAL . 6.3 mm-40 -65.91 -176.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.757 ' O ' HG23 ' A' ' 94' ' ' VAL . 1.2 m -92.82 163.15 26.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.827 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.96 -35.19 3.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 2.6 mm-40 -70.68 -35.52 72.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.14 -30.61 49.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 90' ' ' SER . 21.5 t -72.95 -46.47 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.6 mm? -61.09 -37.09 81.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 3.8 mm-40 -57.46 -16.76 10.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.463 HG21 HD21 ' A' ' 86' ' ' LEU . 46.3 t -77.51 113.82 35.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.89 21.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.01 10.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.81 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.489 ' HA2' ' CE2' ' A' ' 102' ' ' TYR . . . -137.01 48.42 0.91 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 10' ' ' LEU . 7.0 p90 -78.24 1.77 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.489 ' CE2' ' HA2' ' A' ' 100' ' ' GLY . 50.8 p90 -105.92 -36.11 7.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 102' ' ' TYR . 17.5 mtt-85 -36.9 119.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 116.9 -69.21 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 46.9 m-85 -38.07 -85.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 0.767 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 158.71 58.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.54 HD11 ' CD2' ' A' ' 10' ' ' LEU . 1.9 mt -100.7 -39.09 8.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.474 ' HA ' HD11 ' A' ' 116' ' ' LEU . 15.4 mt-10 -58.53 -48.21 81.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -40.8 -28.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 21' ' ' ARG . 87.4 m-85 -104.29 -50.66 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.62 ' CE2' HD13 ' A' ' 25' ' ' LEU . 42.9 m-85 -76.93 107.27 9.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 111' ' ' PHE . 59.7 p -38.87 158.59 0.1 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -8.07 19.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 114' ' ' LEU . 2.4 mm? -88.43 -66.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.407 ' NH1' HG21 ' A' ' 74' ' ' THR . 69.7 mtt180 -48.62 -42.91 35.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 108' ' ' GLU . 14.9 mt -40.89 -60.19 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -41.06 -54.47 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.689 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -63.76 -56.53 18.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -39.83 -64.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -43.13 -44.25 4.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 118' ' ' GLY . . . -48.07 -38.84 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -49.4 -57.49 6.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.89 -53.38 58.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.6 -38.84 56.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 11.9 mtp85 -66.5 -61.52 1.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.543 HD21 ' HB ' ' A' ' 53' ' ' VAL . 3.3 mt -49.8 -51.19 41.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 19.6 mt-30 -52.52 -27.7 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.163 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -83.22 -26.96 30.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.689 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 80.4 mt-30 -82.2 -29.58 31.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.809 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 99.8 t -79.17 -55.63 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.808 ' HG3' HD11 ' A' ' 95' ' ' LEU . 7.3 mtt180 -42.79 -35.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.757 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -62.66 -44.82 95.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -54.38 -48.41 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 131' ' ' ARG . 7.9 mp -45.18 -51.98 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 132' ' ' LYS . 15.2 t -74.92 -25.39 58.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 16.1 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.02 172.11 17.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.93 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' PRO . 1.1 mmmt -37.63 -32.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -87.64 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -43.63 -30.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -53.36 47.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.71 -57.06 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.568 HD11 ' HD1' ' A' ' 101' ' ' PHE . 48.6 mt -46.77 -56.9 5.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.23 -55.61 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.912 HD23 ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -48.82 -61.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.912 ' N ' HD23 ' A' ' 12' ' ' LEU . 21.2 t80 -42.76 -62.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 105' ' ' TYR . 5.3 tttp -56.19 -23.05 32.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.3 t -86.79 -7.21 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.948 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.655 HD11 HD21 ' A' ' 12' ' ' LEU . 60.7 mt -92.58 160.28 34.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.645 ' HG2' HD12 ' A' ' 20' ' ' LEU . 18.1 Cg_endo -75.08 127.91 11.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 17' ' ' PRO . 31.8 tttt -31.45 -67.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 12.8 pt-20 -35.95 -49.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.645 HD12 ' HG2' ' A' ' 17' ' ' PRO . 17.6 mt -68.55 -50.16 54.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.598 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 32.7 mtm-85 -48.12 -28.21 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.846 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -68.83 -33.47 73.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.8 pt20 -89.26 -36.31 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.487 HG21 HD13 ' A' ' 16' ' ' LEU . 55.1 t -52.92 -53.31 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 52.1 mt -53.88 -37.97 64.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.846 HD23 ' O ' ' A' ' 22' ' ' SER . 4.2 mm? -64.04 -55.82 19.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.8 mt-10 -47.91 -51.92 21.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.5 m-30 -44.1 -52.54 7.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -63.46 -32.52 73.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -85.89 -34.01 21.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' TYR . 51.2 t -41.28 101.29 0.24 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.81 43.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.4 Cg_endo -75.01 152.08 40.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.0 Cg_endo -75.04 155.82 42.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.612 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.1 Cg_endo -74.99 161.03 39.45 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.439 1.758 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 128.28 11.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.06 -31.9 7.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.612 HG21 ' HG2' ' A' ' 36' ' ' PRO . 13.8 t -63.69 134.19 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 4.7 tt0 -102.32 130.55 49.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.735 HD23 ' HA ' ' A' ' 53' ' ' VAL . 3.1 mp -114.83 152.04 32.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -109.93 134.1 52.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -71.63 138.35 48.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.762 HG22 ' HD3' ' A' ' 125' ' ' ARG . 89.6 t -95.95 94.9 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -30.23 71.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.626 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' OE1' ' HB2' ' A' ' 121' ' ' ALA . 1.3 tt0 -59.55 -15.23 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.426 ' C ' ' CG ' ' A' ' 48' ' ' GLN . 5.7 t -107.57 -18.59 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 108.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.426 ' CG ' ' C ' ' A' ' 47' ' ' CYS . 1.3 mt-30 79.32 -59.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -53.37 161.55 1.41 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 62.14 5.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -99.86 107.54 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.47 157.83 17.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.735 ' HA ' HD23 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -157.74 173.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 65.0 t60 -164.62 113.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.584 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -100.31 141.28 33.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 63' ' ' ARG . 19.4 m-20 -165.71 165.37 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.984 HG12 ' HB1' ' A' ' 133' ' ' ALA . 1.3 p -136.21 121.25 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.79 102.35 9.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.76 -80.77 0.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.6 23.08 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 6.8 pttt -140.32 141.95 35.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.744 HG21 HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -88.98 127.05 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -94.0 115.83 28.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 83' ' ' ARG . 11.3 mt -92.14 131.9 37.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.518 ' CD1' ' HD3' ' A' ' 36' ' ' PRO . 67.5 m-85 -134.89 123.38 23.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.671 ' CD1' HG23 ' A' ' 53' ' ' VAL . 70.0 m-85 -123.72 149.05 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -146.54 112.63 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.619 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -138.07 115.83 9.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.458 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.3 Cg_endo -74.91 -61.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 69' ' ' PRO . 16.6 t0 -39.19 -29.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 69' ' ' PRO . 11.5 mt-10 61.19 47.51 7.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.19 128.39 80.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.733 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.5 Cg_endo -74.93 -6.54 18.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 p -92.63 -33.2 14.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.0 t -92.12 -45.4 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 2.8 tttt -62.57 -42.6 99.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.93 -67.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 2.6 t80 -43.51 -46.18 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -46.75 -55.98 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -58.33 -40.18 93.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.446 1.092 . . . . 0.0 111.017 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.78 ' O ' HD23 ' A' ' 81' ' ' LEU . 4.3 tt -61.54 -42.09 98.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 0.738 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.77 -58.26 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -64.52 -23.76 67.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.537 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 4.4 mm-40 -54.62 -35.76 63.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.635 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -140.84 50.09 0.76 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 85' ' ' GLY . 66.4 mt -155.77 -45.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.42 113.86 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.14 -17.49 51.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.721 ' O ' HG13 ' A' ' 62' ' ' VAL . 44.7 mm-40 -68.44 -167.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.539 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 1.6 p -98.96 158.2 32.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.843 ' HG3' HG21 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.02 -8.83 20.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -93.19 -32.74 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -80.18 -35.17 36.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.744 HG21 HG21 ' A' ' 62' ' ' VAL . 60.5 t -69.46 -26.49 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.871 HD21 ' O ' ' A' ' 127' ' ' GLN . 10.6 mt -82.55 -33.35 28.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.46 -5.41 23.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 93' ' ' ALA . 75.4 t -80.33 127.56 75.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.22 41.72 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.33 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.66 24.79 3.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.568 ' HD1' HD11 ' A' ' 10' ' ' LEU . 4.7 p90 -54.06 -28.64 40.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.669 ' HB2' HD23 ' A' ' 107' ' ' LEU . 29.2 p90 -77.65 -28.84 51.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.453 ' HG2' ' CE1' ' A' ' 102' ' ' TYR . 8.2 mtp180 -47.39 128.46 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 72.13 77.17 0.56 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 7.6 m-85 -173.08 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 109' ' ' GLU . . . 154.04 -36.9 0.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.669 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -39.83 -54.25 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.805 ' HA ' HD11 ' A' ' 116' ' ' LEU . 2.5 tm-20 -55.52 -54.54 42.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 106' ' ' GLY . 2.4 mt-10 -40.11 -49.24 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -80.08 -54.69 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 112' ' ' THR . 54.6 m-85 -79.33 108.79 13.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 111' ' ' PHE . 7.3 p -41.04 162.67 0.11 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -5.83 17.3 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.43 1.752 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.97 -63.55 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -51.71 -35.91 44.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.805 HD11 ' HA ' ' A' ' 108' ' ' GLU . 11.5 mt -49.58 -48.98 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -39.98 -46.6 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.75 -51.7 49.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -49.33 -44.85 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.781 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -55.08 -49.02 72.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.546 ' HB2' ' OE1' ' A' ' 46' ' ' GLU . . . -54.39 -39.25 67.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -48.99 -53.18 21.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 127' ' ' GLN . 0.9 OUTLIER -65.95 -60.44 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' LEU . 17.0 mt -39.98 -35.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.762 ' HD3' HG22 ' A' ' 44' ' ' VAL . 8.1 mtt-85 -70.01 -55.83 8.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 130' ' ' VAL . 11.3 mt -53.76 -46.85 71.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.871 ' O ' HD21 ' A' ' 95' ' ' LEU . 26.4 mt-30 -56.84 -29.08 62.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.42 -40.49 29.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 51.0 mt-30 -65.7 -29.07 69.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 126' ' ' LEU . 58.0 t -65.48 -51.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 130' ' ' VAL . 20.9 mtp85 -36.34 -45.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -71.68 -46.45 58.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.984 ' HB1' HG12 ' A' ' 57' ' ' VAL . . . -54.07 -25.77 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 130' ' ' VAL . 17.8 mt -56.49 -39.84 73.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.7 p -101.7 -16.68 16.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.848 HG13 HD23 ' A' ' 6' ' ' LEU . 45.7 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.505 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 173.57 14.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.438 ' CA ' ' OE1' ' A' ' 8' ' ' GLN . 18.4 Cg_endo -75.03 -55.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.8 OUTLIER -40.05 -43.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.848 HD23 HG13 ' A' ' 2' ' ' VAL . 16.2 tp -75.61 -68.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.0 tptm -39.48 -33.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.438 ' OE1' ' CA ' ' A' ' 4' ' ' PRO . 1.4 mp0 -63.58 -52.13 62.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -60.54 -58.65 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.68 HD11 ' HD1' ' A' ' 101' ' ' PHE . 71.1 mt -47.79 -50.81 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.25 -59.53 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 16' ' ' LEU . 41.3 tp -51.39 -43.25 61.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -51.84 -63.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -56.75 -29.73 62.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -76.87 -25.49 53.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . 27.8 mt -73.94 157.38 87.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.512 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -74.96 136.37 20.4 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 17' ' ' PRO . 6.7 tttt -34.78 -68.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -34.48 -56.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.608 HD22 ' OE1' ' A' ' 23' ' ' GLN . 24.1 mt -62.48 -46.8 86.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.486 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 14.0 mtt180 -46.81 -23.8 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -80.92 -38.0 28.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.061 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.608 ' OE1' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -71.39 -50.6 30.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.525 ' N ' ' CG ' ' A' ' 23' ' ' GLN . 3.4 p -46.12 -48.84 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.664 ' CD1' ' CE1' ' A' ' 110' ' ' PHE . 30.8 mt -51.96 -46.66 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.51 -48.08 73.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.4 mm-40 -50.64 -57.37 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 6.2 m-30 -41.11 -58.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.2 -36.34 40.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -68.88 -25.48 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' TYR . 1.2 mppp? -96.13 30.33 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 28' ' ' TYR . 55.0 t -119.44 100.02 49.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.67 41.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -75.01 156.12 42.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.4 Cg_endo -74.94 158.03 42.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.02 159.29 41.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.9 11.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.17 -32.91 5.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.47 HG21 ' HG2' ' A' ' 36' ' ' PRO . 21.5 t -64.13 129.6 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 5.4 tt0 -98.43 118.79 35.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.54 146.56 28.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -103.73 120.58 41.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -56.55 147.79 21.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.619 HG22 ' CD ' ' A' ' 125' ' ' ARG . 32.2 t -103.7 91.67 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.26 -36.32 79.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.622 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -21.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.3 t -104.32 158.39 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 108.325 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -71.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.441 ' OG1' HG11 ' A' ' 75' ' ' VAL . 70.4 p -64.45 157.2 73.59 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 77.48 3.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CE1' HG12 ' A' ' 53' ' ' VAL . 2.3 t80 -93.38 105.35 17.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -89.98 142.5 27.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.707 HG12 ' HD1' ' A' ' 66' ' ' PHE . 20.9 m -136.26 163.21 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 11.1 t60 -162.17 125.07 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.51 129.3 55.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 1.1 m-20 -136.95 174.49 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 93.6 t -126.34 102.34 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.07 101.99 13.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.4 -83.65 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.572 1.17 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.31 13.16 2.06 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 22.8 mtmt -124.54 160.35 28.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -95.57 126.62 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 9.7 mmt180 -89.57 121.08 31.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.699 ' N ' HD12 ' A' ' 64' ' ' LEU . 1.7 mp -102.09 137.45 40.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 36.9 m-85 -147.06 119.78 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.707 ' HD1' HG12 ' A' ' 53' ' ' VAL . 59.7 m-85 -124.55 145.3 49.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -138.67 114.04 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.599 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.701 HG11 ' CG2' ' A' ' 75' ' ' VAL . 3.5 t -125.8 116.69 24.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -63.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -21.5 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 66.97 25.39 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.957 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -42.5 126.39 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.484 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -75.02 -11.11 21.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 p -96.07 -28.14 14.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.957 HG22 ' HB3' ' A' ' 72' ' ' ALA . 3.2 m -87.83 -45.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 75' ' ' VAL . 2.2 tttt -63.41 -49.96 71.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -38.92 -63.57 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.81 ' CD2' HD22 ' A' ' 119' ' ' LEU . 6.9 t80 -47.04 -52.31 15.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.75 -37.91 14.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.12 -26.61 63.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD23 ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -77.61 -32.67 53.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 86' ' ' LEU . 86.6 mt -69.79 -49.2 55.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.492 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -74.75 -13.41 60.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.542 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 3.4 mm-40 -59.75 -41.74 91.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.578 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -130.92 48.99 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.718 HD21 HG21 ' A' ' 97' ' ' VAL . 68.4 mt -154.99 -43.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.649 ' HA ' HD13 ' A' ' 64' ' ' LEU . 1.1 tt0 -48.52 119.15 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.07 -19.47 34.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.75 ' O ' HG13 ' A' ' 62' ' ' VAL . 64.0 mm-40 -65.18 177.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 1.008 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -88.25 158.49 49.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.703 ' HA ' HG22 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -74.98 -12.84 21.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.783 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -84.99 -33.89 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.9 -35.08 29.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.008 HG13 ' O ' ' A' ' 90' ' ' SER . 11.6 m -66.35 -48.48 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 127' ' ' GLN . 6.0 mt -56.46 -36.74 69.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.88 -11.44 18.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.718 HG21 HD21 ' A' ' 86' ' ' LEU . 21.5 t -74.76 120.34 81.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.522 ' O ' HD13 ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.0 160.2 40.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.03 8.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 102' ' ' TYR . . . -132.66 22.84 4.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.68 ' HD1' HD11 ' A' ' 10' ' ' LEU . 14.0 p90 -50.8 -31.86 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.557 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 41.7 p90 -72.23 -25.51 61.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HG3' ' CA ' ' A' ' 100' ' ' GLY . 21.5 mtp180 -51.02 145.84 6.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 56.55 80.13 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.9 m-85 -178.47 -45.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 150.59 -36.89 0.91 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mt -50.7 -24.07 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 0.736 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.05 -39.89 71.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -9.84 58.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -91.33 -63.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -83.74 130.6 34.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.0 p -54.1 157.2 4.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.88 16.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mt -87.54 -49.92 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -37.43 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 102' ' ' TYR . 9.1 mt -50.74 -44.4 58.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -54.46 -33.42 59.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.64 -31.92 25.87 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.81 HD22 ' CD2' ' A' ' 78' ' ' PHE . 19.5 mt -67.11 -36.67 82.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.55 -49.95 75.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.49 49.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -49.62 -57.55 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.731 HD23 ' C ' ' A' ' 123' ' ' LEU . 3.2 tt -57.25 -61.46 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.9 mt -44.74 -57.24 3.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.619 ' CD ' HG22 ' A' ' 44' ' ' VAL . 68.3 mtt-85 -46.82 -67.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.629 HD21 ' HB ' ' A' ' 53' ' ' VAL . 2.9 mt -41.24 -56.45 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.643 ' CD ' HD21 ' A' ' 123' ' ' LEU . 88.5 mt-30 -51.38 -36.46 43.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -69.91 -20.88 63.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 54' ' ' HIS . 8.1 mt-30 -87.49 -11.03 50.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' CB ' ' A' ' 91' ' ' PRO . 78.0 t -95.59 -49.01 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -46.83 -41.88 16.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.917 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -69.26 -32.88 72.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.509 ' N ' ' CD ' ' A' ' 132' ' ' LYS . . . -68.14 -30.63 69.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 91' ' ' PRO . 15.4 mt -62.47 -42.64 99.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.917 HG22 ' O ' ' A' ' 132' ' ' LYS . 15.0 t -71.55 -6.57 41.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.51 HG13 HD12 ' A' ' 6' ' ' LEU . 23.3 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.49 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.06 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.545 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -41.96 -37.6 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.51 HD12 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -80.24 -64.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -41.77 -32.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -47.57 81.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.764 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -65.17 -64.73 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.637 HD11 ' HD1' ' A' ' 101' ' ' PHE . 70.9 mt -40.95 -44.95 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -72.36 -65.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LEU . 28.8 tp -41.66 -45.76 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 10.2 t80 -57.8 -62.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -55.83 -19.11 10.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -89.11 -32.6 17.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.444 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 34.6 mt -70.55 160.32 81.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.671 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.01 134.73 18.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -33.96 -68.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 18' ' ' LYS . 2.1 pt-20 -34.92 -57.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.671 HD12 ' CG ' ' A' ' 17' ' ' PRO . 18.2 mt -57.37 -55.78 30.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.9 mtt180 -38.81 -31.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -64.52 -53.9 40.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.986 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.535 ' NE2' HD23 ' A' ' 20' ' ' LEU . 1.1 pt20 -66.14 -39.91 90.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -50.25 -64.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.629 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 78.7 mt -44.08 -39.83 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 26' ' ' LEU . 1.3 mm? -61.02 -56.09 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.1 -53.8 24.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -41.04 -44.7 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -64.3 -47.93 77.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.22 -19.97 16.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.05 24.51 3.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' CE ' ' A' ' 76' ' ' LYS . 58.0 t -116.17 100.99 53.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.51 36.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.1 Cg_endo -75.01 154.74 42.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -74.99 148.55 35.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.97 153.25 41.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.02 55.59 4.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.2 36.18 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 78.9 t -138.8 124.6 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -87.64 113.74 23.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mp -100.93 144.09 30.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -100.92 143.38 31.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -81.13 130.78 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.435 HG22 ' HD3' ' A' ' 125' ' ' ARG . 48.6 t -93.63 91.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -54.64 -39.87 68.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.569 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -43.44 -31.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.2 t -100.25 124.87 46.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.338 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -55.82 -33.12 64.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.0 p -77.34 155.88 81.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.611 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.02 66.99 6.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.799 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -91.05 141.76 28.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' ' O ' ' A' ' 50' ' ' PRO . 8.2 m-85 -137.82 140.59 40.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 1.118 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.9 p -143.92 155.28 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -152.84 134.02 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.573 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB1' HG22 ' A' ' 130' ' ' VAL . . . -117.52 151.33 37.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 39.5 m-20 -158.9 166.89 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.522 ' CG2' ' HB1' ' A' ' 133' ' ' ALA . 96.9 t -116.17 107.39 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.53 123.27 37.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.85 46.52 94.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.25 23.36 40.47 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 20.4 mttm -125.52 177.53 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 89' ' ' GLU . 90.4 t -110.42 124.52 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.578 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 3.5 mmt85 -103.55 108.77 20.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.54 150.95 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 65.2 m-85 -153.32 120.24 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.427 ' CD1' HG23 ' A' ' 53' ' ' VAL . 92.2 m-85 -117.85 165.79 13.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -151.76 115.18 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.604 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.69 HG21 ' HD2' ' A' ' 76' ' ' LYS . 95.7 t -127.98 100.28 24.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -60.46 -10.16 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' CA ' HG12 ' A' ' 68' ' ' VAL . 4.6 mt-10 66.28 14.73 9.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.47 119.98 4.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -75.02 -52.91 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.764 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 p -42.58 -28.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' PRO . 85.9 t -94.04 -36.42 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.69 ' HD2' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -60.66 -50.59 72.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 25' ' ' LEU . . . -46.85 -62.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 10.5 t80 -52.82 -56.8 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.34 -46.53 9.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 84' ' ' GLU . . . -68.19 -26.18 74.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -68.12 -41.12 82.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 78' ' ' PHE . 3.5 mm? -55.58 -59.19 5.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -62.6 -37.95 88.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.36 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.764 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -35.81 -36.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.558 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -147.88 54.35 0.52 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 85' ' ' GLY . 77.7 mt -156.27 -45.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.427 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 4.8 tt0 -55.65 115.53 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.61 -15.47 59.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 62' ' ' VAL . 52.8 mm-40 -68.65 -173.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 p -94.15 158.46 35.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.961 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.99 -9.18 20.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.62 -39.03 10.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.58 -32.23 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.449 HG22 HD22 ' A' ' 86' ' ' LEU . 3.4 t -68.51 -44.35 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.961 HD23 ' O ' ' A' ' 91' ' ' PRO . 3.9 mm? -58.17 -36.2 72.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.53 -27.56 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.492 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 25.6 t -63.64 112.77 7.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.407 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.0 164.59 33.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HA ' HD23 ' A' ' 123' ' ' LEU . 18.6 Cg_endo -74.92 -0.42 9.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -129.32 24.47 4.7 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.637 ' HD1' HD11 ' A' ' 10' ' ' LEU . 3.1 p90 -58.95 -23.45 61.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.625 ' HB2' HD23 ' A' ' 107' ' ' LEU . 21.7 p90 -81.68 -25.35 35.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -51.46 134.44 28.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 63.12 79.18 0.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 4.8 m-85 -175.6 -46.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 159.61 -43.25 0.45 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.684 ' N ' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -47.24 -43.27 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.734 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.39 -57.21 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.98 -47.17 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.98 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.629 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 56.7 m-85 -85.46 150.48 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -71.16 162.95 69.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -10.0 20.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -89.23 -54.52 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -31.15 65.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' GLY . 20.1 mt -67.74 -47.0 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' LEU . 8.3 mtm180 -38.78 -30.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -94.73 -55.87 1.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.591 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.2 mp -41.7 -36.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 121' ' ' ALA . 21.4 mm-40 -69.0 -47.76 64.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -39.34 -49.2 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.97 -70.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' ' 97' ' ' VAL . 60.9 tp -43.65 -57.81 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 121' ' ' ALA . 13.1 mt -45.76 -55.37 6.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.435 ' HD3' HG22 ' A' ' 44' ' ' VAL . 3.1 mtt85 -56.46 -59.55 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.118 HD21 ' CG2' ' A' ' 53' ' ' VAL . 3.7 mt -47.36 -50.18 22.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.563 ' HB3' HD13 ' A' ' 95' ' ' LEU . 49.6 mt-30 -60.97 -26.51 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -86.27 -15.72 39.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -98.64 -25.12 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 126' ' ' LEU . 33.2 t -80.82 -52.38 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.807 ' HG3' HD11 ' A' ' 95' ' ' LEU . 22.2 mtp180 -35.62 -33.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' VAL . 2.3 mtpp -66.07 -55.87 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.522 ' HB1' ' CG2' ' A' ' 57' ' ' VAL . . . -43.89 -47.35 8.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' A' ' 91' ' ' PRO . 8.1 mp -43.46 -37.9 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' LYS . 13.9 t -117.64 28.61 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.843 HG12 ' HA ' ' A' ' 97' ' ' VAL . 3.7 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.424 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.96 176.14 10.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 3' ' ' PRO . 18.1 Cg_endo -75.05 -56.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' OE2' ' A' ' 84' ' ' GLU . 4.0 mtpt -38.99 -35.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -83.71 -64.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 7.7 tptt -42.75 -33.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -67.63 -49.25 63.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -55.82 -58.68 6.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 102' ' ' TYR . 36.6 mt -48.35 -58.06 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.29 -62.24 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.0 tp -46.71 -59.46 3.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 22.6 t80 -38.93 -63.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.24 -33.63 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.2 t -71.28 -22.15 62.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 12' ' ' LEU . 44.3 mt -79.29 159.86 71.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.484 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.1 Cg_endo -75.1 135.44 18.91 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -35.21 -68.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.364 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 12.6 pt-20 -36.03 -46.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD12 ' CG ' ' A' ' 17' ' ' PRO . 11.4 mt -70.75 -52.63 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -38.73 -50.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.486 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -52.37 -48.24 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.98 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -65.41 -39.86 92.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 28' ' ' TYR . 39.9 t -52.68 -63.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' HG ' ' CE1' ' A' ' 13' ' ' PHE . 71.6 mt -42.39 -41.5 2.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 22' ' ' SER . 3.8 mm? -65.07 -56.76 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.1 mt-10 -45.78 -52.43 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.507 ' CE1' HG13 ' A' ' 24' ' ' VAL . 3.4 m-30 -43.17 -57.83 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -51.22 -42.92 61.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -59.07 -25.77 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.87 39.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 28' ' ' TYR . 87.5 t -128.55 98.13 26.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.31 41.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.2 Cg_endo -74.99 155.69 42.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.04 153.84 41.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.1 Cg_endo -75.03 163.99 34.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.35 13.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.91 -39.58 2.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.577 HG21 ' HG2' ' A' ' 36' ' ' PRO . 60.0 t -57.41 122.38 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.456 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 15.6 tt0 -90.84 126.68 36.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.577 HD23 ' CB ' ' A' ' 54' ' ' HIS . 1.4 mp -117.41 144.46 44.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -104.87 133.85 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 50' ' ' PRO . 15.8 ttt180 -72.02 148.78 45.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 121' ' ' ALA . 43.2 t -95.91 90.65 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -56.31 -29.41 61.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -62.8 -17.65 61.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.3 t -109.37 131.48 55.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 1.2 mt-30 -58.31 -68.22 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -52.09 160.49 1.19 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 43' ' ' ARG . 18.2 Cg_endo -75.0 110.32 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 8.4 t80 -136.94 135.88 38.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -131.71 132.69 44.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.957 ' HB ' HD21 ' A' ' 126' ' ' LEU . 22.6 m -128.67 159.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.577 ' CB ' HD23 ' A' ' 41' ' ' LEU . 69.1 t60 -164.29 127.43 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.604 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.33 152.85 36.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -159.15 163.1 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 90.8 t -117.64 107.43 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -102.7 102.53 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.44 -79.16 1.94 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.29 23.67 0.45 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 3.1 mttt -129.0 176.62 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 89' ' ' GLU . 26.4 t -105.64 137.71 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 11.8 mmt-85 -118.11 102.72 9.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.742 ' CD2' HD13 ' A' ' 126' ' ' LEU . 7.7 mt -92.07 149.92 21.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 60.1 m-85 -152.95 119.91 5.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.717 ' CD2' HG12 ' A' ' 53' ' ' VAL . 78.0 m-85 -121.54 154.13 37.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -142.91 122.64 13.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.635 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 71' ' ' GLU . 45.2 t -128.22 111.23 19.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.94 -70.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -39.67 -30.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' A' ' 69' ' ' PRO . 0.4 OUTLIER 70.15 58.16 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.937 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -84.28 134.18 43.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.95 -29.01 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -87.37 -15.23 38.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.937 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 58.5 t -94.23 -42.39 12.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 3.8 tttt -71.63 -43.92 65.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -41.44 -66.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.945 ' CG ' HD13 ' A' ' 119' ' ' LEU . 8.8 t80 -50.47 -59.76 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . . . -41.66 -47.09 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 84' ' ' GLU . . . -65.4 -32.62 84.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -60.62 -33.46 72.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 86' ' ' LEU . 2.6 mm? -68.45 -51.02 48.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HG2' ' CB ' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -72.61 -12.61 61.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.622 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -66.14 -36.12 82.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.61 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -141.19 56.22 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 85' ' ' GLY . 63.6 mt -156.09 -48.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.467 ' CB ' ' HG2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -54.25 124.37 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.48 -10.66 74.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.96 ' O ' HG23 ' A' ' 62' ' ' VAL . 72.8 mm-40 -76.93 -174.08 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -92.62 161.84 31.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.011 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.895 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.04 -11.26 21.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -95.04 -37.08 11.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 96' ' ' GLU . . . -75.87 -13.8 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.466 HG21 HG11 ' A' ' 62' ' ' VAL . 6.1 t -90.17 -36.22 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.895 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.1 mm? -73.49 -37.89 65.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 11.9 pt-20 -57.87 -16.41 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.843 ' HA ' HG12 ' A' ' 2' ' ' VAL . 4.1 t -76.44 120.16 80.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 166.74 28.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.526 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -75.02 -0.0 9.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.94 36.1 2.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 7.8 p90 -64.41 -25.87 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.786 ' HB2' HD23 ' A' ' 107' ' ' LEU . 39.8 p90 -80.44 -9.79 59.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -52.51 146.45 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 53.25 76.54 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 11.7 m-85 -171.14 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 108' ' ' GLU . . . 163.29 -45.77 0.33 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.786 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -39.51 -30.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 116' ' ' LEU . 1.2 mt-10 -54.76 -59.77 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.249 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -32.62 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.404 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -57.58 -48.43 79.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 115' ' ' ARG . 83.4 m-85 -114.07 16.56 18.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.062 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.432 ' O ' HD12 ' A' ' 116' ' ' LEU . 3.0 p 54.16 166.71 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -9.54 20.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -88.06 -69.17 0.71 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -42.97 -26.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.666 HD13 ' HE1' ' A' ' 102' ' ' TYR . 48.7 mt -76.13 -55.73 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 116' ' ' LEU . 18.8 mtt180 -38.36 -42.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -76.51 -41.3 25.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.945 HD13 ' CG ' ' A' ' 78' ' ' PHE . 30.7 mt -61.58 -48.04 82.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 119' ' ' LEU . 53.3 mt-10 -38.2 -47.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 46' ' ' GLU . . . -44.35 -48.89 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.464 ' HB2' ' HE2' ' A' ' 51' ' ' PHE . . . -40.32 -65.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.56 HD22 ' HG3' ' A' ' 127' ' ' GLN . 0.7 OUTLIER -55.67 -61.77 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 99' ' ' PRO . 31.7 mt -38.91 -43.96 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 128' ' ' ALA . 8.5 mtp85 -65.86 -62.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.957 HD21 ' HB ' ' A' ' 53' ' ' VAL . 49.2 mt -42.34 -55.86 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.674 ' HB3' HD13 ' A' ' 95' ' ' LEU . 23.2 mt-30 -45.53 -37.54 5.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -72.77 -39.93 66.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.462 ' OE1' ' ND1' ' A' ' 54' ' ' HIS . 32.5 mt-30 -63.85 -31.46 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.52 ' HB ' HD21 ' A' ' 95' ' ' LEU . 60.7 t -78.3 -58.72 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.755 ' HG3' HD11 ' A' ' 95' ' ' LEU . 6.2 mtt180 -41.18 -36.72 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.871 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -63.12 -46.52 86.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -52.06 -48.68 64.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 91' ' ' PRO . 8.3 mp -43.75 -41.3 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.871 HG22 ' O ' ' A' ' 132' ' ' LYS . 14.8 t -89.6 -27.02 20.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 132' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.718 ' CG1' HD23 ' A' ' 6' ' ' LEU . 44.9 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.01 173.13 15.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -74.98 -55.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HE2' ' N ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -38.44 -37.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.718 HD23 ' CG1' ' A' ' 2' ' ' VAL . 11.1 tp -86.61 -61.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -41.57 -33.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -49.63 71.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -63.54 -65.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.644 HD11 ' HD1' ' A' ' 101' ' ' PHE . 60.9 mt -40.63 -53.69 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.39 -65.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' LEU . 15.9 tp -41.68 -48.26 4.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -55.06 -61.46 2.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -51.46 -30.66 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 t -78.94 -36.97 40.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' LEU . 21.8 mt -60.53 154.86 52.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.03 137.43 21.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 17' ' ' PRO . 4.6 ttmm -34.38 -69.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -34.09 -55.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ARG . 14.8 mt -63.54 -54.55 34.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' LEU . 8.1 mtt180 -35.08 -38.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 23' ' ' GLN . 26.4 p -65.33 -64.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' N ' ' OG ' ' A' ' 22' ' ' SER . 2.1 mm100 -47.22 -32.25 4.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 20' ' ' LEU . 93.7 t -62.32 -66.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 mt -40.34 -36.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.1 mt -70.19 -53.34 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -50.34 -44.64 54.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 4.2 m-30 -52.84 -62.01 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -55.4 -32.37 62.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -65.33 -32.57 74.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -81.66 -32.66 31.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' TYR . 55.0 t -46.64 104.44 0.41 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 157.0 42.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -74.96 155.53 43.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.5 Cg_endo -74.96 150.38 38.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 111.035 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.617 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 153.46 41.82 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.78 5.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.538 1.809 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.16 -20.73 9.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.617 HG21 ' HG2' ' A' ' 36' ' ' PRO . 40.1 t -79.22 123.87 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -89.31 125.82 35.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 65' ' ' TYR . 2.1 mp -111.2 147.26 35.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.56 130.6 52.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.86 147.17 53.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 51' ' ' PHE . 21.6 t -107.15 91.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -54.12 -33.44 57.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.611 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.99 -29.98 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.1 t -97.27 134.46 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.25 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -52.7 -47.54 67.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.4 p -77.4 159.51 77.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 75.26 3.75 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' VAL . 23.6 t80 -89.31 124.59 34.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -111.69 127.51 55.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.565 HG12 ' HD1' ' A' ' 66' ' ' PHE . 15.6 m -124.74 162.22 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -161.91 116.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.595 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -111.53 132.93 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 5.1 m-20 -143.63 167.54 22.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.41 111.21 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -105.87 102.42 11.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.234 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.73 -75.14 2.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.64 22.5 0.41 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -134.48 154.53 51.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -96.82 126.03 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.467 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -96.32 107.11 19.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 83' ' ' ARG . 27.8 mt -82.49 136.39 34.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.557 ' HB3' HD21 ' A' ' 41' ' ' LEU . 55.9 m-85 -136.41 139.67 42.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.565 ' HD1' HG12 ' A' ' 53' ' ' VAL . 71.2 m-85 -147.86 142.33 26.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -130.53 112.17 12.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.6 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.41 112.65 37.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -65.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.85 ' OD2' ' HB2' ' A' ' 72' ' ' ALA . 9.4 p-10 -50.06 -25.02 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 64.44 52.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HB2' ' OD2' ' A' ' 70' ' ' ASP . . . -77.1 133.35 69.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.65 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.1 Cg_endo -75.06 -6.43 18.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.73 -32.2 12.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' HA ' HD21 ' A' ' 119' ' ' LEU . 78.8 t -88.12 -43.46 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.667 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 8.1 tttt -66.35 -46.52 76.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -41.94 -58.68 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 119' ' ' LEU . 2.5 t80 -51.33 -53.73 33.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.444 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -45.43 -39.1 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.16 -35.8 47.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.744 ' O ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -68.83 -29.09 67.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.36 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 86.9 mt -70.1 -59.91 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.745 ' HA ' HD12 ' A' ' 64' ' ' LEU . 2.2 ptt85 -60.16 -33.5 72.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.576 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 2.8 mm-40 -36.69 -55.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.683 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -127.07 51.23 0.86 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 85' ' ' GLY . 57.6 mt -156.02 -45.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tt0 -65.19 118.59 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.05 -25.34 28.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 62' ' ' VAL . 74.6 mm-40 -71.81 174.61 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.992 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.6 m -78.54 159.28 74.85 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.969 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.02 -6.65 18.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.15 -35.5 18.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 96' ' ' GLU . . . -81.85 -26.03 34.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.992 HG13 ' O ' ' A' ' 90' ' ' SER . 4.4 m -75.93 -43.75 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.969 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.2 mm? -62.02 -38.35 88.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 1.8 pt-20 -58.06 -18.66 26.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 86' ' ' LEU . 38.7 t -72.03 116.12 45.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.528 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.98 174.3 13.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.455 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.4 Cg_endo -75.0 -2.41 12.51 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.81 55.07 0.6 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.653 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 8.1 p90 -75.84 -33.92 60.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 48.6 p90 -69.5 -28.08 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -42.71 128.03 4.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 73.6 77.34 0.62 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 3.5 m-85 -175.69 -47.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 0.739 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 154.46 -39.09 0.66 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.502 HD13 HD21 ' A' ' 81' ' ' LEU . 10.6 mt -49.09 -56.03 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -40.17 -40.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -77.94 -57.87 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.72 -66.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -81.89 141.87 32.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 112' ' ' THR . 40.1 p -60.99 156.24 49.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -19.0 18.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.62 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 118' ' ' GLY . 8.1 mtm-85 -62.71 -43.12 99.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.43 HD22 ' CZ ' ' A' ' 102' ' ' TYR . 6.4 mt -43.48 -47.32 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -53.16 -39.42 63.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -74.5 -39.37 42.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 38.1 mt -62.21 -58.01 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 123' ' ' LEU . 12.8 mt-10 -43.3 -50.52 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -34.14 -46.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.597 ' C ' HD12 ' A' ' 126' ' ' LEU . . . -42.23 -53.93 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.528 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 15.2 tp -60.06 -45.29 93.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.5 mm? -56.0 -51.71 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 18.3 mtp85 -64.02 -59.88 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.597 HD12 ' C ' ' A' ' 122' ' ' ALA . 4.7 mt -44.66 -54.05 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 95' ' ' LEU . 57.2 mt-30 -53.85 -33.94 57.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -72.63 -28.09 62.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.612 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 95.4 mt-30 -80.81 -23.58 39.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 126' ' ' LEU . 61.5 t -82.65 -62.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.783 ' HG3' HD11 ' A' ' 95' ' ' LEU . 2.5 mtt180 -38.4 -38.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 133' ' ' ALA . 2.4 pttt -71.01 -50.32 35.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 132' ' ' LYS . . . -51.8 -39.01 57.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 91' ' ' PRO . 14.7 mt -54.02 -42.01 68.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.2 t -107.23 19.15 20.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 132' ' ' LYS . 54.8 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.517 ' CG1' HD23 ' A' ' 6' ' ' LEU . 12.4 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.99 168.69 24.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.98 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -39.84 -46.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.591 HD11 HD21 ' A' ' 81' ' ' LEU . 14.8 tp -78.58 -58.26 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -41.4 -33.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -48.21 66.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -64.02 -51.41 64.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.675 HD13 ' CE2' ' A' ' 105' ' ' TYR . 40.7 mt -54.07 -62.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -51.39 -48.97 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -53.53 -68.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.906 ' N ' HD13 ' A' ' 12' ' ' LEU . 36.4 t80 -40.33 -61.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -46.13 -33.39 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' LEU . 5.7 t -77.74 -38.54 46.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.551 HD13 HG21 ' A' ' 24' ' ' VAL . 16.4 mt -55.2 154.51 10.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.516 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.3 Cg_endo -74.99 134.53 17.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 17' ' ' PRO . 9.0 tttm -35.36 -68.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.5 pt-20 -35.03 -48.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.516 HD12 ' CG ' ' A' ' 17' ' ' PRO . 15.4 mt -69.49 -51.92 31.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.6 mtm180 -43.46 -35.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.38 -51.52 69.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -69.89 -34.42 73.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.551 HG21 HD13 ' A' ' 16' ' ' LEU . 67.7 t -55.63 -69.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.549 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 82.7 mt -41.79 -40.91 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.55 -52.84 62.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.9 mt-10 -49.91 -57.77 6.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.575 ' HA ' ' HZ3' ' A' ' 31' ' ' LYS . 3.0 m-85 -35.2 -57.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -51.06 -45.5 61.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -62.41 -25.99 68.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.575 ' HZ3' ' HA ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -79.59 -33.53 41.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.59 HG22 ' HA2' ' A' ' 80' ' ' GLY . 79.2 t -52.23 107.24 0.79 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.03 161.46 38.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.1 Cg_endo -75.02 153.49 41.7 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.2 Cg_endo -74.98 142.45 27.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.607 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 163.36 35.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.28 18.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.81 -25.03 27.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.607 HG21 ' HG2' ' A' ' 36' ' ' PRO . 54.5 t -68.72 130.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.7 116.34 32.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.69 145.01 32.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -108.1 136.24 48.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.91 146.31 54.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.741 HG22 ' CD ' ' A' ' 125' ' ' ARG . 70.5 t -103.03 91.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -43.59 68.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.605 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.535 ' CD ' ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -43.64 -30.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.8 t -98.72 131.15 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.294 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -53.61 -46.7 70.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.0 p -72.93 157.59 88.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 67.02 5.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' VAL . 13.5 t80 -88.29 119.5 28.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -100.35 167.02 10.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.893 HG23 ' CD2' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -160.43 170.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 39' ' ' VAL . 61.0 t60 -165.39 157.29 14.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -147.29 130.8 16.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 79.8 m-20 -148.71 161.33 41.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.449 HG23 ' CB ' ' A' ' 133' ' ' ALA . 94.6 t -121.1 105.81 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -97.61 102.51 14.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.95 -78.26 1.71 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.84 20.46 0.78 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 20.2 mttt -132.07 150.78 52.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -92.43 121.42 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 7.5 mmt180 -93.49 103.07 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 86' ' ' LEU . 59.6 mt -86.43 146.29 26.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 69.0 m-85 -147.94 151.18 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.893 ' CD2' HG23 ' A' ' 53' ' ' VAL . 67.7 m-85 -152.85 150.48 29.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -135.33 112.38 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.581 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.645 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.2 t -113.1 110.62 51.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -75.01 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.57 -27.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' PRO . 3.0 mt-10 70.66 35.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.04 131.29 95.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.634 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -74.97 -6.08 17.62 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.9 p -95.74 -41.97 8.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.87 -41.88 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.645 ' HG3' HG21 ' A' ' 68' ' ' VAL . 2.7 tttt -67.18 -42.15 84.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.76 -66.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.751 ' CD2' HD22 ' A' ' 119' ' ' LEU . 1.2 t80 -50.9 -53.39 33.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.33 -33.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.59 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -79.0 -44.01 10.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.053 HD22 ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -62.02 -29.63 70.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.735 ' N ' HD13 ' A' ' 81' ' ' LEU . 78.3 mt -66.77 -66.36 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 33' ' ' PRO . 5.8 ptt85 -60.54 -19.94 58.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 4.8 mm-40 -54.18 -57.9 9.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.618 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -120.69 52.07 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 85' ' ' GLY . 64.9 mt -155.5 -46.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.26 117.99 6.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.44 -18.84 54.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.659 ' O ' HG13 ' A' ' 62' ' ' VAL . 25.3 mm-40 -72.23 -171.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.637 ' O ' HG23 ' A' ' 94' ' ' VAL . 6.3 p -95.13 157.87 35.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 130' ' ' VAL . 18.4 Cg_endo -74.94 -18.92 18.48 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.478 1.778 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.43 -36.25 63.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.639 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -83.97 -36.62 23.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 62' ' ' VAL . 58.8 t -66.64 -18.39 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 127' ' ' GLN . 9.1 mt -93.95 -39.65 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.62 -10.57 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 93' ' ' ALA . 28.3 t -77.71 127.98 80.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.06 168.46 24.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -4.53 15.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -136.99 55.18 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 6.6 p90 -80.56 -14.72 57.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.789 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.902 ' CE1' HD22 ' A' ' 116' ' ' LEU . 52.6 p90 -88.93 -16.04 32.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -53.09 127.21 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.82 76.89 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.675 ' CE2' HD13 ' A' ' 10' ' ' LEU . 6.1 m-85 -167.36 -49.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.781 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.84 -53.05 0.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.57 -47.45 63.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.05 -34.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.32 -60.04 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -41.41 -68.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -69.12 143.37 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.9 p -64.82 161.26 47.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -7.3 19.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -88.93 -65.33 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 118' ' ' GLY . 16.8 mtt180 -52.41 -40.69 62.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.902 HD22 ' CE1' ' A' ' 102' ' ' TYR . 9.0 mt -44.62 -41.72 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -52.93 -42.37 65.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -69.02 -28.49 72.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.751 HD22 ' CD2' ' A' ' 78' ' ' PHE . 33.4 mt -66.32 -53.24 38.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 0.802 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.88 -46.92 64.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.678 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -46.27 -35.2 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.859 ' O ' HD22 ' A' ' 126' ' ' LEU . . . -56.76 -73.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.612 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.6 tm? -42.26 -53.23 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 121' ' ' ALA . 10.5 mt -42.8 -54.36 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.741 ' CD ' HG22 ' A' ' 44' ' ' VAL . 18.6 mtt-85 -50.82 -71.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -38.18 -63.88 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.658 ' O ' HD21 ' A' ' 95' ' ' LEU . 31.6 mt-30 -39.98 -42.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -68.16 -43.13 78.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.694 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 91.9 mt-30 -66.72 -56.04 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.573 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 97.2 t -43.29 -48.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.86 ' O ' HG22 ' A' ' 135' ' ' THR . 10.7 mtt-85 -41.62 -48.57 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -64.66 -39.05 93.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -68.16 -30.59 69.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.832 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -83.28 -50.48 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.86 HG22 ' O ' ' A' ' 131' ' ' ARG . 13.0 t -86.82 20.96 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 132' ' ' LYS . 12.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.579 HG13 HD12 ' A' ' 6' ' ' LEU . 21.7 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.03 176.21 10.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLN . 18.2 Cg_endo -74.99 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' O ' ' OE2' ' A' ' 84' ' ' GLU . 2.8 mttt -50.55 -42.05 54.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.579 HD12 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -75.74 -62.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -29.14 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' PRO . 16.8 mt-30 -65.82 -50.86 63.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.755 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -57.34 -53.11 61.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 53.2 mt -50.61 -70.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -48.33 -49.11 35.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' LEU . 41.4 tp -55.17 -47.23 75.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 1.5 t80 -51.96 -61.99 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -60.02 -15.71 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -94.12 -17.98 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' LEU . 34.0 mt -81.06 158.37 70.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.594 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -74.98 136.23 20.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.0 OUTLIER -36.04 -69.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.2 pt-20 -35.96 -44.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.594 HD12 ' CG ' ' A' ' 17' ' ' PRO . 14.4 mt -74.18 -49.15 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' LYS . 31.1 mtt180 -38.23 -30.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.4 t -66.28 -52.54 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' LEU . 6.0 pt20 -61.92 -37.74 85.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 28' ' ' TYR . 70.1 t -45.44 -46.81 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.744 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 86.0 mt -63.55 -48.33 77.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -57.48 -56.21 24.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 28' ' ' TYR . 2.1 mt-10 -41.97 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.666 ' O ' HG23 ' A' ' 32' ' ' VAL . 11.1 m-85 -35.65 -62.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.14 -57.57 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.77 -27.95 8.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -92.23 36.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 28' ' ' TYR . 39.9 t -138.07 92.19 12.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.54 41.99 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.569 1.826 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.61 41.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 160.68 39.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.929 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.01 170.35 20.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.19 20.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.37 55.42 0.76 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.929 HG11 ' HD2' ' A' ' 36' ' ' PRO . 3.4 p -161.06 150.47 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -126.27 112.61 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -80.92 168.11 19.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.377 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 125' ' ' ARG . 29.5 tt0 -115.71 100.54 8.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' NH1' ' CE1' ' A' ' 45' ' ' HIS . 8.3 ttp85 -49.35 127.55 15.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.763 HG22 ' HD3' ' A' ' 125' ' ' ARG . 59.8 t -90.03 100.8 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.429 ' CE1' ' NH1' ' A' ' 43' ' ' ARG . 14.6 m-70 -62.5 -37.25 85.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -37.96 17.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.64 114.39 26.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -39.52 -57.38 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -59.36 155.11 38.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 70.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -91.75 105.4 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.517 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 5.2 m-85 -96.2 140.68 30.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.82 ' HB ' HD21 ' A' ' 126' ' ' LEU . 17.2 m -136.13 160.81 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.502 ' HB3' ' CB ' ' A' ' 65' ' ' TYR . 69.8 t60 -158.2 128.26 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' ARG . . . -127.31 128.05 45.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -130.16 176.0 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 79.3 t -132.94 100.36 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -96.66 101.66 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.54 -89.57 1.54 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.59 7.33 3.05 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 9.1 ptpt -111.77 174.25 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.678 HG21 HG21 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -109.87 125.17 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -87.18 122.46 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.789 HD13 ' HA ' ' A' ' 87' ' ' GLU . 4.7 mp -97.27 130.79 44.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.502 ' CB ' ' HB3' ' A' ' 54' ' ' HIS . 22.4 m-85 -142.42 119.89 11.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.704 ' HD1' HG12 ' A' ' 53' ' ' VAL . 62.4 m-85 -124.53 126.3 45.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.542 ' N ' HD12 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -110.76 123.53 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.1 t -133.95 112.82 12.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -63.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -33.22 72.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.04 67.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -86.18 132.68 42.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.4 Cg_endo -74.95 -5.65 17.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.39 -39.87 9.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.1 t -81.5 -42.57 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 32' ' ' VAL . 19.0 tttt -63.74 -38.11 89.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -41.33 -68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -45.92 -52.07 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -43.9 -47.44 8.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.524 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -66.75 -44.66 88.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.586 ' O ' HD12 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -59.03 -24.09 62.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.69 ' O ' HD12 ' A' ' 86' ' ' LEU . 42.3 mt -82.5 -45.76 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.501 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 4.5 ttt180 -74.09 -20.64 60.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.755 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -58.0 -38.46 76.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.488 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -133.2 55.66 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 82' ' ' LEU . 93.2 mt -156.39 -43.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.789 ' HA ' HD13 ' A' ' 64' ' ' LEU . 7.4 tp10 -46.5 115.73 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 89' ' ' GLU . . . 95.01 -27.91 13.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.646 ' O ' HG13 ' A' ' 62' ' ' VAL . 6.6 mm-40 -49.51 -177.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.508 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 2.0 p -100.76 161.52 23.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.881 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.06 -7.56 19.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.95 -38.47 16.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.846 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -84.75 -36.72 21.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.678 HG21 HG21 ' A' ' 62' ' ' VAL . 54.6 t -68.05 -17.18 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 91' ' ' PRO . 8.4 mt -94.1 -43.76 8.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -58.45 -18.01 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 93' ' ' ALA . 74.4 t -60.94 121.88 65.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 160.81 39.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.799 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -74.97 -2.13 12.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -125.58 33.55 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.63 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 22.2 p90 -65.01 -15.27 62.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.904 ' CZ ' HD12 ' A' ' 116' ' ' LEU . 38.3 p90 -96.81 -26.81 14.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.92 126.16 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 72.16 77.65 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 6.5 m-85 -171.74 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 109' ' ' GLU . . . 153.27 -36.39 0.76 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.769 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -39.31 -61.0 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -50.67 -39.93 52.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 106' ' ' GLY . 1.6 tt0 -57.02 -36.61 70.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -90.98 -45.17 8.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.901 ' HB2' HD21 ' A' ' 116' ' ' LEU . 62.7 m-85 -95.89 123.3 39.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.716 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -50.58 155.58 1.82 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 112' ' ' THR . 18.2 Cg_endo -74.97 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.97 -43.98 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -68.43 -38.5 81.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.904 HD12 ' CZ ' ' A' ' 102' ' ' TYR . 3.7 mm? -55.11 -50.01 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' LEU . 14.9 mtt180 -38.04 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' LEU . . . -91.71 -56.05 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.627 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 2.0 mp -38.85 -43.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.612 ' O ' HD22 ' A' ' 124' ' ' LEU . 36.4 mt-10 -55.52 -56.22 22.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -38.67 -35.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -52.28 -56.47 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.504 HD21 HG12 ' A' ' 97' ' ' VAL . 13.7 tp -59.84 -61.18 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 99' ' ' PRO . 1.4 mm? -45.47 -51.35 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.763 ' HD3' HG22 ' A' ' 44' ' ' VAL . 26.8 mtt-85 -53.87 -64.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.82 HD21 ' HB ' ' A' ' 53' ' ' VAL . 5.5 mt -48.41 -49.61 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.695 ' O ' HD21 ' A' ' 95' ' ' LEU . 78.5 mt-30 -55.82 -28.35 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.83 -25.49 35.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -77.77 -36.58 50.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 133' ' ' ALA . 99.3 t -65.63 -45.41 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -47.59 -25.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.722 ' O ' HG22 ' A' ' 135' ' ' THR . 19.8 mmmt -81.84 -37.17 27.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -66.67 -36.29 82.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.32 -45.08 80.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 132' ' ' LYS . 13.0 t -76.61 -0.3 22.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 39.1 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.98 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.94 -56.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' PRO . 11.3 mmmt -38.2 -32.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.667 HD11 ' CE2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -88.42 -62.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -43.23 -31.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -44.6 60.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -64.53 -58.72 5.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.733 HD11 ' HD2' ' A' ' 101' ' ' PHE . 46.2 mt -47.55 -56.27 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -58.7 -64.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' LEU . 44.0 tp -44.08 -55.61 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -48.05 -63.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -49.42 -25.7 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -37.91 21.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' LEU . 26.2 mt -51.43 156.6 2.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.632 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.03 134.26 17.54 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.2 ptmt -34.1 -67.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -35.4 -53.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.632 HD12 ' CG ' ' A' ' 17' ' ' PRO . 36.6 mt -65.86 -43.5 88.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 1.2 mtm105 -49.2 -21.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.502 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -85.21 -31.58 23.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.514 ' CG ' ' N ' ' A' ' 24' ' ' VAL . 1.2 pt20 -79.09 -48.44 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.514 ' N ' ' CG ' ' A' ' 23' ' ' GLN . 4.0 p -49.17 -54.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' N ' HG13 ' A' ' 24' ' ' VAL . 85.1 mt -45.99 -37.36 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 22' ' ' SER . 4.2 mm? -76.81 -48.06 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.705 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 3.6 mt-10 -48.54 -59.62 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 84' ' ' GLU . 7.6 m-30 -38.69 -65.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -50.48 -32.05 17.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -66.77 -36.02 81.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.497 ' NZ ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -76.57 -36.93 57.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' LYS . 55.1 t -39.58 99.05 0.19 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 156.18 43.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.42 41.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.09 42.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.82 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.901 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.98 167.41 27.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.46 4.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . 125.84 -59.15 0.66 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.901 HG11 ' HD2' ' A' ' 36' ' ' PRO . 6.6 p -39.18 136.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.78 120.57 42.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -92.79 144.36 25.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -106.58 121.96 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' CD ' ' HA ' ' A' ' 50' ' ' PRO . 18.8 ttp85 -62.04 138.35 58.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' PHE . 46.8 t -96.41 91.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.419 ' CE1' ' NH1' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -50.91 -42.24 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.628 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -42.51 -33.26 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.25 133.8 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.04 -41.61 75.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.5 p -76.6 156.25 83.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.394 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 74.48 4.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.557 1.819 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -88.09 116.97 26.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 8.9 m-85 -107.2 151.5 25.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.666 HG23 ' CD1' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -159.96 171.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.535 ' CD2' HG23 ' A' ' 39' ' ' VAL . 82.3 t60 -165.4 123.8 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.663 ' HB1' HG22 ' A' ' 130' ' ' VAL . . . -109.99 139.96 44.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -149.21 172.2 15.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.458 HG23 ' CB ' ' A' ' 133' ' ' ALA . 72.7 t -125.35 111.65 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.94 124.63 26.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.96 35.81 90.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.62 6.67 51.14 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 11.5 mtpt -107.62 177.71 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 89' ' ' GLU . 21.5 t -111.25 115.87 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -82.92 105.42 13.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.955 HD13 ' HA ' ' A' ' 87' ' ' GLU . 5.8 mp -92.48 136.05 33.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 58.4 m-85 -139.77 119.7 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.666 ' CD1' HG23 ' A' ' 53' ' ' VAL . 74.3 m-85 -123.81 149.77 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -149.59 115.85 5.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.632 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.599 HG12 ' H ' ' A' ' 71' ' ' GLU . 96.8 t -120.68 116.98 31.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.05 -67.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -26.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.599 ' H ' HG12 ' A' ' 68' ' ' VAL . 3.9 mt-10 70.6 31.57 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.93 129.85 85.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.724 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.05 -6.09 17.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.5 p -96.61 -39.31 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 ' CE2' ' A' ' 51' ' ' PHE . 38.2 t -80.15 -39.84 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.559 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 6.9 tttt -71.21 -48.83 49.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -40.87 -63.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CD2' ' HG ' ' A' ' 119' ' ' LEU . 8.7 t80 -51.36 -52.07 48.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.41 -42.1 6.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.08 -28.46 71.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.679 ' C ' HD13 ' A' ' 81' ' ' LEU . 1.3 tm? -66.51 -41.24 89.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.679 ' HB3' HD12 ' A' ' 86' ' ' LEU . 2.9 mm? -59.8 -53.66 55.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.56 -16.66 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 28' ' ' TYR . 4.0 mm-40 -73.81 -22.76 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.685 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -145.53 41.53 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 85' ' ' GLY . 54.5 mt -154.87 -45.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.955 ' HA ' HD13 ' A' ' 64' ' ' LEU . 6.9 tt0 -52.85 116.28 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.55 3.39 71.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.964 ' O ' HG23 ' A' ' 62' ' ' VAL . 76.2 mm-40 -87.8 178.06 6.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.425 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 2.0 p -89.31 160.21 42.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.949 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 1.035 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -7.99 19.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.25 -35.95 12.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.97 -32.89 59.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.612 HG22 HD22 ' A' ' 86' ' ' LEU . 14.2 t -70.21 -42.95 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.035 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.3 mm? -61.82 -29.03 69.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.34 -42.28 96.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.753 ' O ' HD21 ' A' ' 123' ' ' LEU . 20.1 t -52.69 107.35 0.82 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.507 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.97 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.451 1.763 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.9 10.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -127.79 32.43 3.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.733 ' HD2' HD11 ' A' ' 10' ' ' LEU . 14.1 p90 -75.86 -14.28 60.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE2' ' CD ' ' A' ' 120' ' ' GLU . 39.8 p90 -89.77 -31.45 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -45.15 130.75 7.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.55 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 70.31 77.52 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.641 ' CE2' HD13 ' A' ' 10' ' ' LEU . 4.1 m-85 -174.78 -47.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.38 -39.68 0.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.674 HD23 ' HE2' ' A' ' 111' ' ' PHE . 1.4 mt -49.47 -36.27 22.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.484 ' HA ' HD11 ' A' ' 116' ' ' LEU . 1.5 tm-20 -52.32 -61.24 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.78 -59.92 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -40.37 -71.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.674 ' HE2' HD23 ' A' ' 107' ' ' LEU . 78.6 m-85 -80.72 120.69 24.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.8 p -51.03 163.84 0.48 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.441 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.69 17.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.46 -51.9 5.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -32.88 70.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 108' ' ' GLU . 13.7 mt -52.13 -48.25 64.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -39.85 -58.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -58.18 -48.56 82.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.578 ' HG ' ' CD2' ' A' ' 78' ' ' PHE . 1.5 mp -46.98 -48.08 21.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.433 ' CD ' ' CE2' ' A' ' 102' ' ' TYR . 31.1 mm-40 -59.64 -46.35 89.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.916 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -41.01 -50.18 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.947 ' O ' HD22 ' A' ' 126' ' ' LEU . . . -41.51 -71.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.753 HD21 ' O ' ' A' ' 97' ' ' VAL . 62.2 tp -40.92 -50.38 3.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 121' ' ' ALA . 7.8 mt -53.11 -44.36 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.537 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 10.8 mmp_? -60.44 -69.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.947 HD22 ' O ' ' A' ' 122' ' ' ALA . 0.6 OUTLIER -39.56 -64.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.552 ' HB3' HD13 ' A' ' 95' ' ' LEU . 50.2 mt-30 -41.65 -43.27 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -61.13 -43.41 98.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.568 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 7.9 mt-30 -74.64 -60.35 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.663 HG22 ' HB1' ' A' ' 55' ' ' ALA . 59.2 t -38.52 -49.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.664 ' HG3' HD11 ' A' ' 95' ' ' LEU . 8.8 mtp180 -46.05 -61.5 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -49.66 -37.22 27.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -66.69 -32.67 74.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.792 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -82.49 -46.97 12.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.478 ' N ' HD12 ' A' ' 134' ' ' LEU . 1.9 p -79.65 48.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 97' ' ' VAL . 2.6 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 173.75 13.95 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.06 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -38.66 -31.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' PRO . 18.2 tp -88.58 -67.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 11.1 tptt -39.43 -32.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -76.39 -56.78 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.56 -46.35 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.621 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 32.7 mt -66.14 -64.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -41.34 -39.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' LEU . 55.1 tp -70.35 -43.54 69.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' LEU . 62.9 t80 -51.02 -47.49 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -62.24 -43.9 97.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 t -68.18 -30.69 69.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' LEU . 14.8 mt -58.77 151.98 50.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.0 139.24 24.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' ARG . 49.6 tttt -34.95 -68.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -34.16 -54.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.865 ' O ' HG12 ' A' ' 24' ' ' VAL . 13.6 mt -65.64 -44.89 85.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 11.9 mtt180 -48.22 -22.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -87.15 -32.5 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.028 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.5 mm100 -76.91 -48.83 17.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.865 HG12 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -44.03 -58.63 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.745 HD22 ' CZ ' ' A' ' 111' ' ' PHE . 77.5 mt -42.57 -44.11 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.43 -49.26 56.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.8 mt-10 -45.71 -55.23 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.751 ' O ' HG23 ' A' ' 32' ' ' VAL . 14.5 m-85 -41.16 -53.7 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.83 -38.15 64.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -68.7 -26.08 65.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.3 43.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 28' ' ' TYR . 75.8 t -133.94 97.79 15.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.04 166.22 29.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.4 Cg_endo -75.01 154.91 42.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.2 Cg_endo -74.96 160.46 40.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.886 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -75.0 162.78 36.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 3.05 5.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.09 66.12 0.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.886 HG11 ' HD2' ' A' ' 36' ' ' PRO . 10.7 p -157.99 134.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.55 115.99 31.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.22 146.71 24.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -105.31 142.51 34.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.456 ' NH2' ' O ' ' A' ' 47' ' ' CYS . 1.9 tpt180 -76.62 128.64 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.658 HG22 ' HD3' ' A' ' 125' ' ' ARG . 63.7 t -95.76 88.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.43 ' HA ' ' NH2' ' A' ' 43' ' ' ARG . 25.4 m-70 -55.18 -36.1 65.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.541 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -42.4 63.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.56 ' H ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -77.95 114.39 16.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.334 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -39.14 -44.58 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.3 p -81.66 159.74 65.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 77.02 3.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -89.25 142.18 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -131.7 134.67 46.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.659 ' CG2' HD21 ' A' ' 126' ' ' LEU . 2.9 p -146.7 161.62 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.577 ' CD2' HG23 ' A' ' 39' ' ' VAL . 86.6 t60 -145.68 131.29 18.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -118.31 134.32 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 63' ' ' ARG . 23.5 m-20 -164.48 166.75 20.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.828 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -136.0 127.79 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.33 101.79 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.13 -82.22 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.79 20.54 0.69 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 23.9 mttt -137.06 150.35 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.876 HG21 HG21 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -97.57 126.59 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.539 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -94.32 114.88 27.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 86' ' ' LEU . 16.7 mt -97.51 141.49 30.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 87.7 m-85 -142.81 128.87 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.477 ' CD1' HG23 ' A' ' 53' ' ' VAL . 85.3 m-85 -125.1 159.31 31.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -155.0 120.51 5.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.506 HG12 ' H ' ' A' ' 71' ' ' GLU . 41.0 t -126.72 114.65 22.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.99 -66.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.768 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -46.76 -26.56 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.506 ' H ' HG12 ' A' ' 68' ' ' VAL . 3.0 mt-10 67.56 53.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -78.7 133.26 62.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.679 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -75.0 -22.81 14.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.534 1.807 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 p -86.01 -25.58 25.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 99.3 t -88.27 -48.44 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 14.2 tttt -63.31 -44.61 94.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.7 -60.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.666 ' CE2' HD11 ' A' ' 82' ' ' LEU . 15.2 t80 -52.49 -51.29 60.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -44.07 -52.18 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.555 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -63.86 -30.6 78.18 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.573 ' HB2' ' CD2' ' A' ' 28' ' ' TYR . 1.5 tp -76.39 -27.62 56.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' CE2' ' A' ' 78' ' ' PHE . 97.2 mt -74.46 -48.1 29.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.674 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -74.67 -18.57 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.584 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 3.2 mm-40 -55.91 -40.66 73.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.517 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -130.17 49.04 0.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 82' ' ' LEU . 79.0 mt -154.62 -44.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 113.33 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.94 28.1 32.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.852 ' O ' HG13 ' A' ' 62' ' ' VAL . 77.6 mm-40 -104.94 -173.91 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.466 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 11.2 p -94.02 158.01 36.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.539 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -10.18 21.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.76 -35.96 12.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -76.93 -35.55 57.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.876 HG21 HG21 ' A' ' 62' ' ' VAL . 40.9 t -72.05 -17.17 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 91' ' ' PRO . 11.1 mt -94.49 -28.59 15.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.57 -6.16 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.89 ' HA ' HG12 ' A' ' 2' ' ' VAL . 3.3 t -83.07 117.28 68.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 174.76 12.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.94 14.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.02 54.09 0.71 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 3.4 p90 -83.0 -8.67 59.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.976 ' HB2' HD13 ' A' ' 107' ' ' LEU . 42.2 p90 -103.66 -45.24 4.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.528 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 67.2 mtp180 -35.38 121.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' TYR . . . 129.8 -73.49 0.46 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 37.8 m-85 -36.91 -64.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 0.731 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.83 62.76 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.976 HD13 ' HB2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -101.18 -26.51 13.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.02 -43.11 99.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -44.97 -30.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.702 ' CD2' HD11 ' A' ' 25' ' ' LEU . 53.9 m-85 -99.78 -49.58 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.745 ' CZ ' HD22 ' A' ' 25' ' ' LEU . 27.6 m-85 -91.77 118.04 30.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 p -46.85 158.41 0.42 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -8.9 20.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 114' ' ' LEU . 1.6 mm? -91.61 -60.99 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -51.98 -37.22 52.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' ARG . 6.0 mt -47.56 -52.19 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -38.73 -45.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -67.47 -55.69 14.31 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 90.4 mt -42.41 -61.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 123' ' ' LEU . 36.1 mt-10 -46.65 -59.17 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -34.68 -47.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -42.76 -54.26 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' GLU . 6.5 tp -60.73 -48.86 79.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.1 mm? -51.75 -46.01 63.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.658 ' HD3' HG22 ' A' ' 44' ' ' VAL . 8.8 mtt85 -63.48 -57.63 9.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 130' ' ' VAL . 4.7 mt -49.18 -44.82 43.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 21.0 mt-30 -64.87 -25.43 67.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.8 -20.32 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 29.6 mt-30 -92.0 -34.19 14.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 126' ' ' LEU . 75.3 t -59.97 -54.97 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -43.65 -28.71 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' SER . 22.6 mmmt -70.61 -41.54 72.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.828 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -58.27 -45.43 87.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 134' ' ' LEU . 7.3 mp -47.57 -39.18 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.0 t -116.57 26.72 9.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' LYS . 5.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.553 HG13 HD12 ' A' ' 6' ' ' LEU . 45.7 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.5 Cg_endo -74.96 174.45 12.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.96 -59.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -40.73 -29.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.553 HD12 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -87.07 -66.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -43.74 -30.38 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -55.92 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.715 ' HB1' ' OH ' ' A' ' 28' ' ' TYR . . . -57.59 -51.45 69.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.782 HD11 ' HD2' ' A' ' 101' ' ' PHE . 72.1 mt -54.75 -53.49 54.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.79 -51.84 68.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 16' ' ' LEU . 43.4 tp -55.23 -48.52 73.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.698 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 45.8 t80 -54.4 -58.78 6.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -60.41 -19.07 54.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.1 t -86.7 -30.89 21.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD13 HG21 ' A' ' 24' ' ' VAL . 28.7 mt -70.13 158.52 87.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.59 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -74.98 136.27 20.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' PRO . 2.1 ttmm -36.13 -69.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 6.8 pt-20 -35.36 -44.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.59 HD12 ' CG ' ' A' ' 17' ' ' PRO . 13.2 mt -72.74 -51.31 19.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' LYS . 14.5 mtt180 -37.17 -34.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -59.96 -54.16 49.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.2 pt20 -65.71 -39.47 91.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.475 HG21 HD13 ' A' ' 16' ' ' LEU . 84.0 t -48.29 -62.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.698 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 24.1 mt -45.62 -39.7 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 22' ' ' SER . 3.0 mm? -68.25 -51.56 43.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.8 mt-10 -47.47 -50.48 23.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.715 ' OH ' ' HB1' ' A' ' 9' ' ' ALA . 3.1 m-85 -43.83 -55.49 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -55.72 -32.8 63.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -67.57 -25.23 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.32 39.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.3 100.63 35.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.81 42.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 155.58 43.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 160.24 40.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 147.29 33.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.76 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.03 58.48 4.93 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.18 39.26 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 69.9 t -143.96 135.12 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.423 0.719 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -95.57 123.16 38.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 65' ' ' TYR . 2.3 mp -109.66 152.07 26.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.58 124.94 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 23.2 ttp180 -63.74 147.77 50.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.441 HG22 ' HD3' ' A' ' 125' ' ' ARG . 92.9 t -98.89 91.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -24.59 64.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.632 ' HG2' ' HB2' ' A' ' 121' ' ' ALA . 1.0 OUTLIER -60.61 -29.38 69.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.435 ' C ' ' CG ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -102.18 -16.57 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.435 ' CG ' ' C ' ' A' ' 47' ' ' CYS . 1.5 mt-30 76.64 -59.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.0 p -41.37 160.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 63.48 6.04 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -108.65 105.11 14.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 43' ' ' ARG . 2.1 m-85 -105.13 132.47 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.847 ' HB ' HD21 ' A' ' 126' ' ' LEU . 30.5 m -128.57 157.59 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.405 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 83.1 t60 -149.58 115.52 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 126' ' ' LEU . . . -105.77 130.29 53.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 22.8 m-20 -156.88 164.63 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.83 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -135.73 123.73 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.91 111.55 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.61 -82.54 1.58 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.93 22.38 0.6 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 57' ' ' VAL . 5.6 pttt -136.98 152.32 50.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 89' ' ' GLU . 59.0 t -91.85 146.7 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.579 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 2.3 mmt180 -119.25 102.55 8.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' A' ' 86' ' ' LEU . 9.0 mt -81.71 138.04 35.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 66.7 m-85 -141.18 120.02 12.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 53' ' ' VAL . 92.7 m-85 -124.06 138.81 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -132.07 111.61 11.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.574 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.499 HG11 ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -138.57 111.73 8.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.01 -65.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' PRO . 35.4 t70 -37.42 -31.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' PRO . 2.8 mt-10 69.68 30.73 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -52.4 124.14 31.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.603 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.05 -8.19 19.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -96.46 -25.17 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.495 HG22 HH22 ' A' ' 115' ' ' ARG . 24.2 t -94.1 -38.34 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.587 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 2.7 tttt -72.08 -40.9 67.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.06 -51.21 1.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.535 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.5 t80 -64.04 -53.69 45.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 78' ' ' PHE . . . -40.12 -49.42 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -63.31 -34.74 90.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.674 ' O ' HD12 ' A' ' 81' ' ' LEU . 2.1 tp -63.65 -37.21 86.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.624 ' CA ' HD12 ' A' ' 86' ' ' LEU . 3.2 mm? -69.16 -56.95 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.476 ' HG3' ' CB ' ' A' ' 87' ' ' GLU . 58.8 ttt-85 -63.82 -24.33 67.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.563 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -48.56 -45.99 38.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.647 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -143.27 61.07 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 85' ' ' GLY . 56.1 mt -156.1 -45.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.77 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -58.7 125.17 22.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.02 -21.87 34.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.803 ' O ' HG23 ' A' ' 62' ' ' VAL . 18.5 mm-40 -71.2 173.01 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.983 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.7 m -80.88 158.9 69.87 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 94' ' ' VAL . 18.5 Cg_endo -75.01 -9.7 20.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.77 -35.45 17.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.99 -32.21 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.983 HG13 ' O ' ' A' ' 90' ' ' SER . 13.0 m -68.05 -47.95 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' N ' HG23 ' A' ' 94' ' ' VAL . 2.7 mt -59.22 -34.16 71.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -58.13 -23.3 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.61 HG21 HD21 ' A' ' 86' ' ' LEU . 50.9 t -69.72 113.43 17.24 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 167.2 27.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.472 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -74.97 -2.25 12.28 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.81 24.84 5.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.782 ' HD2' HD11 ' A' ' 10' ' ' LEU . 21.5 p90 -63.62 -28.93 70.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.888 ' HB2' HD13 ' A' ' 107' ' ' LEU . 37.6 p90 -78.85 -41.04 31.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -48.94 127.46 14.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.55 -46.18 1.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.568 1.168 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.626 ' CE2' HD13 ' A' ' 10' ' ' LEU . 82.4 m-85 -78.17 50.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 105' ' ' TYR . . . 30.95 54.32 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.888 HD13 ' HB2' ' A' ' 102' ' ' TYR . 3.5 mt -101.13 -40.73 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -63.41 -33.08 74.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.53 -24.1 2.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -105.01 -49.05 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 67.4 m-85 -87.31 125.09 34.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 p -57.55 162.86 4.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.443 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.19 19.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.14 -48.98 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.495 HH22 HG22 ' A' ' 75' ' ' VAL . 14.0 mtp85 -62.31 -40.63 96.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.655 HD22 ' CE2' ' A' ' 102' ' ' TYR . 16.9 mt -53.46 -49.06 68.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -48.44 -32.4 7.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.535 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -86.23 -39.39 7.91 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.526 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 15.1 mt -59.55 -57.64 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.49 ' CD ' ' CE1' ' A' ' 102' ' ' TYR . 28.1 mm-40 -44.79 -43.91 8.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.632 ' HB2' ' HG2' ' A' ' 46' ' ' GLU . . . -42.33 -39.48 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.82 -60.69 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 97' ' ' VAL . 27.1 tp -54.86 -52.94 61.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 99' ' ' PRO . 35.7 mt -50.04 -50.64 46.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' A' ' 44' ' ' VAL . 23.3 mtt-85 -60.57 -65.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.847 HD21 ' HB ' ' A' ' 53' ' ' VAL . 16.4 mt -44.33 -52.07 7.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 37.5 mt-30 -59.27 -33.76 71.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -69.29 -16.5 63.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -95.43 -23.53 17.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.571 HG13 ' HB3' ' A' ' 91' ' ' PRO . 94.3 t -76.75 -43.19 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.728 ' O ' HG22 ' A' ' 135' ' ' THR . 11.4 mtt180 -45.75 -25.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.455 ' HA ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -86.47 -42.49 13.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.83 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -66.14 -33.38 75.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.795 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -69.23 -48.9 60.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.767 ' N ' HD12 ' A' ' 134' ' ' LEU . 5.5 t -79.45 -4.99 53.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 21.5 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 174.82 12.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.2 Cg_endo -75.06 -59.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -36.07 -35.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.551 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -87.01 -65.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.17 -31.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -57.39 13.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.653 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -51.9 -66.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.863 HD13 ' CE2' ' A' ' 105' ' ' TYR . 93.5 mt -42.28 -64.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -43.36 -49.1 7.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 16' ' ' LEU . 12.1 tp -62.21 -35.58 79.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' LEU . 5.8 t80 -59.69 -64.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -57.89 -18.71 24.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 t -85.34 -38.14 19.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 16' ' ' LEU . 28.8 mt -70.23 159.04 86.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -74.98 136.23 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' GLU . 7.7 tttp -34.83 -68.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -33.88 -57.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ARG . 14.7 mt -58.06 -57.41 12.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LEU . 13.7 mtt180 -36.58 -39.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -56.69 -55.25 36.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LEU . 4.4 pt20 -66.68 -37.94 85.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.0 t -49.47 -57.66 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.538 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 39.6 mt -50.36 -42.04 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 73' ' ' PRO . 6.7 mt -61.42 -37.41 83.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.63 -44.97 80.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.5 m-85 -53.49 -24.24 12.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.59 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -89.02 -27.07 21.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.15 -19.49 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.59 -32.4 18.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 28' ' ' TYR . 33.1 t -44.66 103.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.84 40.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.5 Cg_endo -74.95 151.11 39.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.432 1.754 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.3 Cg_endo -75.04 151.79 39.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.666 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 154.35 42.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.776 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.97 125.36 9.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.27 -21.58 21.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.666 HG21 ' HG2' ' A' ' 36' ' ' PRO . 5.9 t -76.5 133.53 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -99.13 133.19 43.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 65' ' ' TYR . 2.7 mp -117.97 147.08 43.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 2.1 tt0 -100.62 145.35 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 16.5 ttp180 -80.96 146.58 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.536 HG22 ' HD3' ' A' ' 125' ' ' ARG . 64.9 t -100.58 90.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -53.87 -33.09 55.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.679 ' HG2' ' HB2' ' A' ' 121' ' ' ALA . 1.8 tp10 -54.65 -24.84 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.1 t -113.79 121.12 43.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -50.96 -48.46 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.9 p -58.89 155.84 29.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.79 4.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.665 ' HE2' ' HB2' ' A' ' 122' ' ' ALA . 3.9 t80 -97.24 114.26 25.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 36.8 m-85 -104.08 144.57 31.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.58 ' CG2' HD21 ' A' ' 126' ' ' LEU . 2.1 m -144.38 163.83 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.433 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 63.5 t60 -165.35 123.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.648 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.696 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -116.47 138.84 51.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 63' ' ' ARG . 15.6 m-20 -164.56 171.76 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.729 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -135.98 122.01 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.66 108.93 19.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.07 -82.29 1.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.44 20.97 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.1 mtmm -136.24 152.31 50.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 89' ' ' GLU . 5.6 t -86.52 155.22 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.548 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 10.7 mmt180 -132.05 114.84 15.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.638 HD22 ' CD1' ' A' ' 126' ' ' LEU . 63.3 mt -98.35 151.34 20.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 76.3 m-85 -153.85 120.35 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.403 ' HD1' HG12 ' A' ' 53' ' ' VAL . 87.6 m-85 -126.22 135.95 52.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -132.16 118.6 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.61 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.589 HG11 ' HG3' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -138.6 116.34 9.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.469 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.03 -49.69 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.5 t0 -49.66 -17.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 13.5 pt-20 49.16 40.09 16.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.817 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -62.97 127.79 91.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.1 Cg_endo -74.98 -17.41 19.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.5 t -97.26 -16.83 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.817 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 99.7 t -94.37 -48.53 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -63.42 -43.46 97.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -37.1 -67.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.839 ' CD1' HD13 ' A' ' 119' ' ' LEU . 5.2 t80 -48.09 -56.6 7.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 82' ' ' LEU . . . -47.64 -56.22 7.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.53 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -53.31 -33.1 45.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 5.0 tt -59.53 -53.03 62.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 78' ' ' PHE . 2.7 mm? -52.17 -55.18 22.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.62 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -67.7 -12.12 59.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.653 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -67.29 -37.0 82.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.69 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -146.28 54.67 0.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 85' ' ' GLY . 54.2 mt -156.4 -47.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.488 ' HB2' ' CG ' ' A' ' 83' ' ' ARG . 1.3 tm-20 -55.08 115.62 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.24 -22.36 39.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.983 ' O ' HG23 ' A' ' 62' ' ' VAL . 39.2 mm-40 -59.92 -172.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.502 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 1.4 m -87.43 161.18 46.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.654 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -14.99 20.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -96.26 -36.49 10.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.64 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.481 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 2.7 t -68.7 -56.7 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.741 HD11 ' HG3' ' A' ' 131' ' ' ARG . 4.4 mm? -52.76 -33.29 47.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.67 -13.52 15.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.484 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 63.0 t -81.16 122.45 81.5 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.84 17.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.657 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.1 Cg_endo -75.04 -10.34 21.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.37 58.96 0.68 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.648 ' HD1' HD11 ' A' ' 10' ' ' LEU . 8.8 p90 -88.18 -1.07 57.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.964 ' HB2' HD13 ' A' ' 107' ' ' LEU . 41.4 p90 -112.28 -45.19 3.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.568 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 50.7 mtm180 -41.41 105.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.81 -70.03 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.863 ' CE2' HD13 ' A' ' 10' ' ' LEU . 82.9 m-85 -37.65 -68.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 156.81 58.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.964 HD13 ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -101.04 -24.66 14.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.467 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 13.2 mt-10 -65.08 -49.94 68.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -40.67 -28.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.419 ' N ' ' C ' ' A' ' 108' ' ' GLU . 17.8 m-85 -103.88 -45.95 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.538 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 28.1 m-85 -98.96 107.1 19.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.0 p -39.94 159.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.99 18.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.0 -63.06 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -54.03 -33.23 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.528 HD22 ' CE2' ' A' ' 102' ' ' TYR . 10.3 mt -49.56 -50.65 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.17 -56.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -62.94 -48.25 82.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.839 HD13 ' CD1' ' A' ' 78' ' ' PHE . 12.7 mt -41.72 -44.73 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 121' ' ' ALA . 10.3 mt-10 -60.32 -51.94 67.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.679 ' HB2' ' HG2' ' A' ' 46' ' ' GLU . . . -34.71 -38.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.665 ' HB2' ' HE2' ' A' ' 51' ' ' PHE . . . -51.17 -58.85 5.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.481 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.7 OUTLIER -66.06 -55.9 14.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' A' ' 99' ' ' PRO . 2.7 mm? -40.28 -43.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.536 ' HD3' HG22 ' A' ' 44' ' ' VAL . 5.2 mtt-85 -71.7 -51.07 24.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.638 ' CD1' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -45.32 -51.33 11.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.661 ' HB3' HD13 ' A' ' 95' ' ' LEU . 3.8 mt-30 -59.45 -29.71 67.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.36 -15.33 55.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 3.5 mm-40 -92.19 -37.59 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.696 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 53.2 t -71.57 -49.4 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.741 ' HG3' HD11 ' A' ' 95' ' ' LEU . 6.3 mtp180 -42.9 -30.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.768 ' O ' HG22 ' A' ' 135' ' ' THR . 8.9 mmmm -67.78 -45.4 74.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.729 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -54.02 -45.61 71.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 131' ' ' ARG . 7.9 mp -46.48 -32.74 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 132' ' ' LYS . 8.9 t -102.66 -20.33 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.804 ' CG1' HD23 ' A' ' 6' ' ' LEU . 45.4 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.518 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.94 173.02 15.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.462 1.77 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.05 -55.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -37.66 -45.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.804 HD23 ' CG1' ' A' ' 2' ' ' VAL . 25.1 tp -72.82 -66.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' LEU . 5.3 tptt -38.76 -30.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -80.54 -52.73 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -53.74 -38.77 64.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 69.3 mt -73.35 -61.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.9 -48.49 51.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' LEU . 48.2 tp -55.48 -46.65 76.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 14.7 t80 -52.86 -58.98 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -56.22 -21.23 22.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -92.19 -19.81 21.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 HG21 ' A' ' 24' ' ' VAL . 30.4 mt -73.01 157.98 87.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.562 ' HG2' HD13 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.01 137.26 21.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 17' ' ' PRO . 17.2 tttt -34.53 -68.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.801 ' HG2' HD12 ' A' ' 20' ' ' LEU . 9.5 tt0 -33.95 -49.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.801 HD12 ' HG2' ' A' ' 19' ' ' GLU . 9.8 mp -71.98 -47.5 51.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' LYS . 25.5 mtt180 -37.54 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.9 -42.63 10.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.032 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.6 mm-40 -63.13 -49.65 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.862 HG21 HD13 ' A' ' 16' ' ' LEU . 24.1 t -48.94 -60.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HG ' ' CE1' ' A' ' 13' ' ' PHE . 64.6 mt -42.23 -44.66 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -57.0 -61.37 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' ALA . 2.7 mt-10 -44.07 -61.55 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE1' ' HG3' ' A' ' 84' ' ' GLU . 5.8 m-30 -37.31 -51.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HB1' ' CG ' ' A' ' 76' ' ' LYS . . . -55.72 -46.58 77.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -67.95 -15.63 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -31.59 24.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.621 HG22 ' HA2' ' A' ' 80' ' ' GLY . 53.7 t -58.39 110.58 2.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HD3' ' NE ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.02 165.45 31.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.4 42.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.01 143.3 28.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.574 1.829 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.62 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.98 159.6 41.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 128.62 11.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.03 -28.68 10.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.62 HG21 ' HG2' ' A' ' 36' ' ' PRO . 18.7 t -67.25 123.73 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -94.8 112.71 24.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.07 142.42 29.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 1.6 tp10 -99.27 144.77 28.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 8.5 ttp-105 -80.34 145.31 32.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 47' ' ' CYS . 89.8 t -103.59 93.46 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -61.93 -33.73 74.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.6 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -50.9 -39.64 54.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.46 ' H ' HG12 ' A' ' 44' ' ' VAL . 2.9 t -88.03 150.24 23.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.49 29.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.552 HG21 ' NH2' ' A' ' 115' ' ' ARG . 47.2 p -136.92 155.66 76.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.604 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.99 60.77 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD1' HG11 ' A' ' 75' ' ' VAL . 11.4 t80 -90.81 153.34 20.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' A' ' 50' ' ' PRO . 14.8 m-85 -150.89 134.74 16.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 1.09 ' CG2' HD21 ' A' ' 126' ' ' LEU . 9.3 p -135.22 154.76 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.44 ' C ' ' CD2' ' A' ' 54' ' ' HIS . 1.9 t-160 -151.59 125.82 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -115.59 140.65 48.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -148.61 167.33 25.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 59.4 t -113.97 100.5 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -101.45 102.88 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.3 -78.43 2.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.64 25.47 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 14.0 mttt -133.59 176.99 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 89' ' ' GLU . 62.7 t -109.84 114.18 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 22.1 mmt180 -86.02 117.19 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.651 HD11 ' HB2' ' A' ' 86' ' ' LEU . 28.9 mt -97.2 141.44 30.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 63' ' ' ARG . 31.3 m-85 -146.96 120.15 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.449 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 85.7 m-85 -119.75 161.15 21.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -146.02 115.96 7.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.912 HG21 ' HD2' ' A' ' 76' ' ' LYS . 78.9 t -124.46 99.9 35.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.99 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.96 -14.12 3.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' CA ' HG12 ' A' ' 68' ' ' VAL . 1.8 mt-10 73.16 18.2 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' LYS . . . -50.34 120.1 11.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 76' ' ' LYS . 18.4 Cg_endo -74.99 -50.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.5 p -43.9 -30.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.615 HG11 ' CD1' ' A' ' 51' ' ' PHE . 81.5 t -93.59 -32.01 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.912 ' HD2' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -63.1 -60.56 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 25' ' ' LEU . . . -38.75 -63.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 4.5 t80 -46.06 -59.24 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.857 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.69 -40.27 12.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.621 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -72.77 -25.85 72.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 78' ' ' PHE . 4.5 tp -75.85 -46.97 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -59.43 -36.27 75.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -81.24 -11.08 59.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.547 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 4.6 mm-40 -95.36 -2.85 48.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.487 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -130.68 -33.89 0.46 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.045 HD12 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -94.58 -65.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.624 ' C ' ' O ' ' A' ' 86' ' ' LEU . 2.3 tm-20 -16.92 112.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.38 14.27 64.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 62' ' ' VAL . 35.9 mm-40 -98.96 165.28 11.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 110.358 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 p -78.65 161.33 69.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.908 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -7.59 19.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -35.21 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -75.12 -30.72 60.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.045 HG22 HD12 ' A' ' 86' ' ' LEU . 12.1 t -71.13 -41.63 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.908 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.4 mm? -66.59 -32.63 74.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.21 -8.34 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 93' ' ' ALA . 59.0 t -86.86 120.26 71.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 173.0 15.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.603 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.1 Cg_endo -74.99 0.35 9.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.799 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -140.46 48.78 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 12.4 p90 -69.84 -28.96 66.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.927 ' HB2' HD23 ' A' ' 107' ' ' LEU . 51.7 p90 -77.79 -25.65 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -39.53 124.18 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 75.45 77.45 0.71 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.4 m-85 -172.16 -51.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 161.47 -44.24 0.39 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.927 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -43.77 -47.27 7.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.803 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -51.41 14.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -71.09 -59.34 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.47 -65.26 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -78.51 141.1 38.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -61.9 160.46 28.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.71 17.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.08 -55.51 3.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.552 ' NH2' HG21 ' A' ' 49' ' ' THR . 1.5 ttt180 -62.88 -37.19 85.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.8 mt -51.84 -47.0 64.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.9 mtt-85 -46.07 -42.69 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -71.47 -54.58 8.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.588 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -44.3 -40.79 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.83 -43.48 98.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 122' ' ' ALA . . . -54.29 -48.46 71.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 121' ' ' ALA . . . -38.65 -50.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.478 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.1 tm? -65.7 -63.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 99' ' ' PRO . 12.3 mt -40.67 -29.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 3.5 mmp_? -75.48 -60.34 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.09 HD21 ' CG2' ' A' ' 53' ' ' VAL . 16.1 mt -46.28 -55.12 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.657 ' HB3' HD13 ' A' ' 95' ' ' LEU . 14.7 mt-30 -45.56 -32.67 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -74.26 -42.76 59.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 126' ' ' LEU . 53.7 mt-30 -65.66 -56.2 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.642 ' HB ' HD21 ' A' ' 95' ' ' LEU . 13.3 t -49.93 -61.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.743 ' HG3' HD11 ' A' ' 95' ' ' LEU . 1.6 mtt-85 -39.43 -30.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 133' ' ' ALA . 1.0 OUTLIER -68.27 -53.14 26.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 132' ' ' LYS . . . -47.52 -41.6 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 18.4 mt -46.46 -44.18 17.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 136' ' ' SER . 9.8 t -114.85 26.89 9.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 135' ' ' THR . 2.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 5.0 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.96 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 8' ' ' GLN . 18.3 Cg_endo -75.03 -49.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -50.13 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.496 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -67.81 -67.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -40.52 -31.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 4' ' ' PRO . 2.7 mt-30 -67.56 -59.24 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.78 -49.64 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.617 HD11 ' HD1' ' A' ' 101' ' ' PHE . 97.4 mt -63.03 -70.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -41.34 -43.33 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' LEU . 20.5 tp -65.57 -45.3 83.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 21' ' ' ARG . 40.9 t80 -51.46 -57.9 7.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -59.7 -15.11 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -8.51 20.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.992 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.518 HD13 HG21 ' A' ' 24' ' ' VAL . 28.3 mt -83.4 160.74 58.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.72 ' HG2' HD22 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -75.05 139.05 23.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -38.1 -70.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.601 ' HG3' HD13 ' A' ' 20' ' ' LEU . 6.8 pt-20 -34.05 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.72 HD22 ' HG2' ' A' ' 17' ' ' PRO . 9.2 mp -85.05 -56.57 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -37.65 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.39 -44.9 9.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.52 ' OE1' HD12 ' A' ' 20' ' ' LEU . 3.3 pt20 -65.55 -39.44 91.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.235 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG21 HD13 ' A' ' 16' ' ' LEU . 50.0 t -54.91 -57.85 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 HD21 ' A' ' 107' ' ' LEU . 77.1 mt -42.21 -36.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 26' ' ' LEU . 1.7 mm? -69.06 -54.72 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.7 OUTLIER -48.87 -51.62 28.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.592 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.8 m-30 -40.17 -55.66 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.656 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -57.96 -36.88 73.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -65.6 -25.59 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.2 32.62 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.674 HG22 ' HD3' ' A' ' 83' ' ' ARG . 72.0 t -125.85 98.02 34.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.25 40.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.2 Cg_endo -75.03 155.43 42.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.3 Cg_endo -75.01 152.85 41.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.456 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.98 161.01 39.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.946 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.62 11.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.39 -41.5 2.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.456 HG21 ' HG2' ' A' ' 36' ' ' PRO . 54.2 t -55.65 123.57 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.733 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.52 128.81 36.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.535 HD23 ' C ' ' A' ' 53' ' ' VAL . 2.0 mp -116.1 149.11 39.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.26 138.54 35.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -74.65 134.87 41.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.638 HG22 ' HD3' ' A' ' 125' ' ' ARG . 96.9 t -94.87 91.43 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -55.77 -49.39 73.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.14 -35.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 23.9 t -89.99 144.2 26.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -65.31 -59.07 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.7 p -65.84 160.7 60.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.94 74.9 3.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.454 ' O ' HG23 ' A' ' 44' ' ' VAL . 5.3 t80 -89.19 106.81 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 23.1 m-85 -103.92 134.32 47.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.535 ' C ' HD23 ' A' ' 41' ' ' LEU . 16.8 m -139.58 162.29 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -148.95 129.13 13.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.816 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -118.14 139.53 51.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 63' ' ' ARG . 17.8 m-20 -165.34 167.03 18.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.6 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.8 OUTLIER -135.75 129.2 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -125.3 101.22 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.0 -81.41 0.56 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.32 21.47 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 13.9 mttm -139.43 151.02 45.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 0.724 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -98.75 127.78 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 4.1 mmm180 -91.51 126.25 36.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.792 HD13 ' HA ' ' A' ' 87' ' ' GLU . 1.3 mp -99.44 149.05 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 92.5 m-85 -152.59 124.88 8.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CD1' HG12 ' A' ' 53' ' ' VAL . 98.4 m-85 -130.22 151.72 50.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -140.31 115.15 9.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.659 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.22 109.16 33.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -69.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.51 -30.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 69.05 56.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -83.53 129.77 58.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -75.0 -7.89 19.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -96.82 -25.73 15.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 20.6 t -92.83 -38.15 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.656 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 4.9 tttt -67.97 -38.67 83.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.81 -57.79 4.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.584 ' CG ' HD13 ' A' ' 119' ' ' LEU . 1.6 t80 -55.09 -49.4 71.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.91 -45.67 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.16 -28.84 73.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 78' ' ' PHE . 11.5 tp -68.16 -35.0 77.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.4 mm? -68.53 -52.73 28.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.674 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -72.9 -16.82 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.582 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 2.7 mm-40 -49.77 -54.11 21.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.769 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -126.97 51.66 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 85' ' ' GLY . 43.2 mt -151.64 -42.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.792 ' HA ' HD13 ' A' ' 64' ' ' LEU . 18.0 tp10 -46.32 110.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.31 34.73 35.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.645 ' O ' HG13 ' A' ' 62' ' ' VAL . 72.6 mm-40 -108.17 178.49 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 p -77.27 157.15 81.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.063 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.722 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.02 -14.54 21.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.791 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.57 -38.15 11.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.46 -26.1 65.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 62' ' ' VAL . 2.9 t -78.0 -42.32 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 91' ' ' PRO . 3.2 mm? -64.98 -34.95 79.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.91 -27.19 63.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.553 ' O ' HD21 ' A' ' 123' ' ' LEU . 40.1 t -64.47 111.97 6.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.444 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.0 170.33 20.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.803 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -1.88 11.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.55 43.62 1.27 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.617 ' HD1' HD11 ' A' ' 10' ' ' LEU . 28.6 p90 -80.14 -3.87 50.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.489 ' HB2' HD13 ' A' ' 107' ' ' LEU . 35.3 p90 -108.2 -37.13 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.425 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 42.5 mtt180 -49.98 128.11 17.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 105' ' ' TYR . . . 118.17 -71.94 0.3 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.593 ' CE2' HD13 ' A' ' 10' ' ' LEU . 65.5 m-85 -35.36 -85.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 170.65 51.18 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 102' ' ' TYR . 4.2 mt -101.45 -46.04 5.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -55.13 -37.7 67.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.4 -31.03 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 21' ' ' ARG . 26.5 m-85 -96.41 -43.14 7.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.89 ' HB2' HD21 ' A' ' 116' ' ' LEU . 49.2 m-85 -104.08 123.19 46.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.892 ' O ' HD23 ' A' ' 116' ' ' LEU . 1.4 p -46.68 159.74 0.35 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.38 16.9 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -76.58 -56.54 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -51.12 -41.7 60.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.892 HD23 ' O ' ' A' ' 112' ' ' THR . 4.1 mm? -56.87 -50.72 71.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -42.73 -27.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -90.9 -41.57 5.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.584 HD13 ' CG ' ' A' ' 78' ' ' PHE . 15.4 mt -59.0 -48.4 81.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' CD ' ' CE1' ' A' ' 102' ' ' TYR . 32.8 mm-40 -48.64 -37.08 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 118' ' ' GLY . . . -47.95 -37.76 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.43 ' C ' HD12 ' A' ' 126' ' ' LEU . . . -51.42 -65.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.553 HD21 ' O ' ' A' ' 97' ' ' VAL . 13.5 tp -48.59 -56.04 9.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.68 -48.49 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.638 ' HD3' HG22 ' A' ' 44' ' ' VAL . 13.1 mtt-85 -58.93 -62.96 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.636 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 1.5 mt -47.19 -48.77 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 15.2 mt-30 -50.37 -27.26 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -81.81 -31.72 31.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.816 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 10.0 mt-30 -76.23 -29.77 57.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.581 ' HB ' HD21 ' A' ' 95' ' ' LEU . 86.1 t -76.39 -60.8 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.707 ' HG3' HD11 ' A' ' 95' ' ' LEU . 8.6 mtt180 -41.01 -32.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.709 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -66.19 -46.9 75.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.6 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -51.77 -42.35 62.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 91' ' ' PRO . 7.0 mp -52.24 -40.51 61.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 132' ' ' LYS . 13.9 t -91.18 -15.77 28.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' LYS . 4.9 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.504 HG12 ' HD2' ' A' ' 3' ' ' PRO . 2.9 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.504 ' HD2' HG12 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.93 176.61 9.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 3' ' ' PRO . 18.3 Cg_endo -75.04 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 4.3 mmmt -39.34 -50.62 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.37 -69.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -41.28 -29.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' PRO . 2.4 mt-30 -75.18 -63.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.63 -31.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.613 HD11 ' HD2' ' A' ' 101' ' ' PHE . 78.8 mt -80.35 -53.19 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.15 -47.72 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.5 -41.34 76.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 7.6 t80 -57.59 -63.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -50.98 -27.08 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.24 -38.25 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 mt -69.87 157.57 89.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.5 Cg_endo -74.94 135.11 18.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 17' ' ' PRO . 2.4 tttm -34.09 -68.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.1 pm0 -35.21 -56.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.505 HD12 ' CG ' ' A' ' 17' ' ' PRO . 16.8 mt -60.83 -53.74 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 8.8 mtt180 -39.54 -58.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.28 -42.43 30.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.3 mm-40 -68.95 -35.1 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.527 HG13 ' CE1' ' A' ' 28' ' ' TYR . 3.1 t -63.15 -65.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 38.4 mt -39.06 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -68.36 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -52.01 -32.35 33.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.553 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 m-85 -57.8 -33.53 68.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.709 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -82.97 -38.57 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.73 -17.65 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -86.11 -25.05 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 28' ' ' TYR . 72.4 t -69.34 113.33 15.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.3 27.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.95 41.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -75.03 139.65 24.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.807 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.606 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.99 163.31 35.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.31 16.49 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.1 -29.58 10.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.947 HG13 ' CD2' ' A' ' 54' ' ' HIS . 69.2 t -65.5 120.71 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 4.1 tt0 -92.81 112.83 24.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 54' ' ' HIS . 1.2 mp -97.52 140.12 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.8 132.03 37.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 47' ' ' CYS . 2.2 tpt180 -68.06 128.48 36.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 47' ' ' CYS . 72.8 t -94.56 88.24 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.415 ' HA ' ' NH2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -56.75 -45.12 82.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.568 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.83 -48.12 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.577 ' H ' HG12 ' A' ' 44' ' ' VAL . 5.8 t -81.88 113.12 19.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -38.91 -34.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -84.58 152.39 60.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.377 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 75.23 3.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -96.24 107.41 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -98.07 138.37 35.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.628 ' HB ' HD21 ' A' ' 126' ' ' LEU . 33.8 m -136.23 148.57 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.947 ' CD2' HG13 ' A' ' 39' ' ' VAL . 83.1 t60 -134.85 105.66 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.89 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -103.25 132.8 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 63' ' ' ARG . 10.5 m-20 -157.17 165.85 34.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.541 HG12 ' CB ' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -134.26 126.1 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.36 102.32 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.21 -78.53 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.66 24.29 0.3 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.7 mttt -141.54 142.71 33.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.902 HG21 HG21 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -92.77 122.9 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -86.37 120.89 28.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 83' ' ' ARG . 77.3 mt -91.14 138.62 31.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 64.2 m-85 -146.66 121.53 9.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.77 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 83.0 m-85 -125.0 145.68 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -134.25 120.41 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.497 HG12 ' H ' ' A' ' 71' ' ' GLU . 46.3 t -129.51 111.72 17.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -61.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -50.7 -22.15 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.497 ' H ' HG12 ' A' ' 68' ' ' VAL . 18.6 mt-10 66.69 44.27 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -73.16 125.43 90.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.73 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.4 Cg_endo -74.96 -5.89 17.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.5 p -93.03 -44.92 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' A' ' 119' ' ' LEU . 40.8 t -73.51 -50.97 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.709 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -58.62 -43.36 89.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.5 -67.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.878 ' O ' HD22 ' A' ' 82' ' ' LEU . 3.2 t80 -41.6 -55.69 2.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.77 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -43.09 -54.98 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 32' ' ' VAL . . . -53.15 -38.42 56.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' GLU . 5.4 tt -55.77 -61.72 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.878 HD22 ' O ' ' A' ' 78' ' ' PHE . 1.4 mm? -39.7 -65.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.468 ' HA ' HD12 ' A' ' 64' ' ' LEU . 15.2 ttt180 -51.87 -32.96 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 33.7 mm-40 -74.56 -3.26 29.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.432 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -124.37 -41.97 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.977 HD12 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -91.41 -69.67 0.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 0.748 . . . . 0.0 109.269 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.536 ' O ' ' O ' ' A' ' 86' ' ' LEU . 1.1 tt0 45.09 104.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.52 36.91 1.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.77 ' O ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -75.96 -169.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 94' ' ' VAL . 12.8 p -89.27 157.01 48.28 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.98 -9.09 20.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.32 -34.14 14.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.962 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -77.73 -32.34 52.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.977 HG22 HD12 ' A' ' 86' ' ' LEU . 70.6 t -75.98 -20.52 15.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.762 HD21 ' O ' ' A' ' 127' ' ' GLN . 29.2 mt -93.44 -26.74 17.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -84.21 8.37 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 93' ' ' ALA . 47.2 t -94.89 120.44 64.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.32 40.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.27 10.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.9 20.64 10.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.613 ' HD2' HD11 ' A' ' 10' ' ' LEU . 25.3 p90 -61.41 -20.46 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.676 ' HB2' HD13 ' A' ' 107' ' ' LEU . 32.0 p90 -89.64 -2.73 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -77.49 161.58 27.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.544 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 59.42 66.86 2.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 21.9 m-85 -167.52 -94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 174.55 48.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -101.62 -54.12 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.47 -40.93 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.73 -40.27 27.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -91.44 -38.23 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 35.1 m-85 -101.47 104.78 15.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 40.0 p -40.83 161.63 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.417 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.36 20.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.789 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.28 -64.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -52.3 -29.47 23.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' ARG . 5.8 mt -54.79 -50.51 68.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -38.16 -43.5 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.598 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -66.51 -58.97 7.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -41.04 -59.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -48.79 -43.48 38.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 118' ' ' GLY . . . -50.68 -39.85 52.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -50.88 -63.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.537 HD21 HG12 ' A' ' 97' ' ' VAL . 11.9 tp -48.96 -50.84 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 121' ' ' ALA . 12.2 mt -53.8 -54.99 30.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -54.56 17.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.815 ' O ' HG23 ' A' ' 130' ' ' VAL . 1.7 mt -57.15 -47.91 80.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.762 ' O ' HD21 ' A' ' 95' ' ' LEU . 7.0 mt-30 -48.29 -30.42 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.53 -29.53 27.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.89 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 96.1 mt-30 -79.45 -9.16 59.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 126' ' ' LEU . 42.1 t -85.5 -62.26 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 7.1 mtt85 -48.51 -38.79 21.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.506 ' C ' ' CD ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -65.31 -42.22 93.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.541 ' CB ' HG12 ' A' ' 57' ' ' VAL . . . -57.08 -30.83 64.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.14 -44.4 84.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 t -98.21 17.04 19.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.54 HG13 ' HD2' ' A' ' 3' ' ' PRO . 47.0 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.54 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 173.9 13.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.552 1.817 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.01 -55.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 12.2 mttt -38.39 -42.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.63 -68.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -40.08 -29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 6' ' ' LEU . 2.9 mm-40 -79.56 -50.83 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.88 -37.22 76.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.621 HD11 ' HD1' ' A' ' 101' ' ' PHE . 41.8 mt -72.97 -66.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -47.41 -42.29 21.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.439 ' CB ' ' O ' ' A' ' 8' ' ' GLN . 55.6 tp -61.39 -52.04 66.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HE2' HD13 ' A' ' 107' ' ' LEU . 38.7 t80 -49.19 -60.63 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -60.42 -30.99 69.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.6 t -73.25 -25.27 60.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LEU . 37.4 mt -75.95 159.2 81.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.01 138.89 23.61 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' PRO . 6.0 tttt -35.0 -69.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -33.48 -56.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLN . 14.4 mt -61.99 -53.44 55.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 11.0 mtt180 -38.57 -49.34 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -51.16 -46.51 62.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -64.99 -44.0 90.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.699 HG12 ' CE2' ' A' ' 28' ' ' TYR . 84.1 t -46.59 -60.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.644 HD22 ' HZ ' ' A' ' 111' ' ' PHE . 88.8 mt -42.78 -40.68 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 26' ' ' LEU . 4.2 mm? -73.73 -53.95 9.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.648 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.6 mt-10 -42.79 -51.09 5.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.699 ' CE2' HG12 ' A' ' 24' ' ' VAL . 6.7 m-85 -49.1 -66.27 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.87 -24.98 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -75.18 -34.06 61.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' TYR . 8.6 mttt -80.48 -33.42 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.518 HG22 ' HA2' ' A' ' 80' ' ' GLY . 44.0 t -43.74 103.27 0.31 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.21 41.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -75.04 153.48 41.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -75.01 147.23 33.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.797 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.96 155.22 43.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.97 125.99 9.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.59 -3.37 36.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.725 HG21 ' HG2' ' A' ' 36' ' ' PRO . 3.2 t -92.77 132.75 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.436 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 13.8 tt0 -101.71 118.42 36.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 65' ' ' TYR . 2.3 mp -101.24 151.29 22.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -103.03 118.83 37.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.7 ttt-85 -67.85 140.29 56.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.484 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 59.2 t -91.74 90.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -50.5 -31.63 15.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -26.6 62.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.428 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -97.12 112.1 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.287 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.5 -20.96 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 p -91.17 164.49 24.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 94.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.457 ' HE2' ' HB2' ' A' ' 122' ' ' ALA . 5.6 t80 -124.72 113.0 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -113.75 113.01 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.668 HG12 ' HD1' ' A' ' 66' ' ' PHE . 10.4 m -109.14 165.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 62.1 t60 -158.93 133.86 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.623 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.69 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -129.03 128.19 43.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 14.2 m-20 -144.86 167.49 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' HB1' ' A' ' 133' ' ' ALA . 47.6 t -113.64 105.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.39 101.68 13.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.51 -82.08 1.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.93 14.52 1.73 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.6 mtmt -129.41 161.39 30.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -98.03 126.13 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 10.9 mmt-85 -95.57 138.04 33.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 87' ' ' GLU . 17.5 mt -121.79 144.3 48.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 57.4 m-85 -148.04 124.82 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.668 ' HD1' HG12 ' A' ' 53' ' ' VAL . 67.7 m-85 -124.9 140.1 53.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -123.52 118.96 28.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.608 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.621 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.4 t -131.61 114.32 15.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -62.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -23.56 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.39 43.52 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.41 117.92 48.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.773 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.97 -5.55 16.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.8 p -91.46 -34.89 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 t -92.47 -45.17 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.621 ' HG3' HG21 ' A' ' 68' ' ' VAL . 12.7 tttt -62.21 -42.58 99.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -38.82 -68.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 1.8 t80 -45.29 -50.17 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.723 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.6 -48.87 19.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.518 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -62.7 -30.3 76.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.43 -46.62 59.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 79' ' ' ALA . 3.1 mt -58.57 -36.37 73.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -79.08 -14.84 58.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -95.69 -0.17 51.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.557 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -133.34 -37.21 0.25 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.748 HD11 HG21 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -96.85 -70.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 83' ' ' ARG . 10.5 tm-20 -30.63 114.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.85 0.39 57.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.867 ' O ' HG13 ' A' ' 62' ' ' VAL . 24.4 mm-40 -96.26 -172.77 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.507 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -92.4 161.05 33.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.628 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.01 -12.78 21.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -94.34 -35.27 12.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.06 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 62' ' ' VAL . 25.0 t -67.93 -55.84 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 91' ' ' PRO . 3.5 mm? -50.37 -35.48 28.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.46 -13.42 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.748 HG21 HD11 ' A' ' 86' ' ' LEU . 46.7 t -84.52 114.02 52.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 173.83 13.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.869 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.4 Cg_endo -74.96 0.76 8.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.96 40.53 1.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.621 ' HD1' HD11 ' A' ' 10' ' ' LEU . 4.8 p90 -74.5 -14.31 60.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.792 ' HB2' HD23 ' A' ' 107' ' ' LEU . 47.0 p90 -92.68 -20.74 20.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -46.77 133.94 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 67.81 76.42 0.41 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.8 m-85 -170.36 -50.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 108' ' ' GLU . . . 161.93 -46.07 0.36 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.792 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -38.9 -31.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -66.17 -54.51 24.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -79.84 -11.4 59.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.606 ' CD1' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -86.96 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.644 ' HZ ' HD22 ' A' ' 25' ' ' LEU . 60.4 m-85 -91.15 129.73 37.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 33.1 p -39.21 159.03 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.05 20.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.83 -57.58 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -19.26 25.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 108' ' ' GLU . 6.5 mt -68.29 -48.57 64.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -39.26 -42.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -63.19 -49.56 70.15 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.7 mp -50.61 -35.94 32.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 0.802 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -65.84 -66.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.531 ' HB1' ' HE ' ' A' ' 125' ' ' ARG . . . -32.51 -49.59 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.457 ' HB2' ' HE2' ' A' ' 51' ' ' PHE . . . -41.31 -57.45 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.2 tm? -61.72 -52.96 62.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 99' ' ' PRO . 10.5 mp -41.64 -58.22 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.531 ' HE ' ' HB1' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -53.48 -64.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.69 HD22 ' HB2' ' A' ' 55' ' ' ALA . 25.2 mt -41.99 -53.81 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.523 ' HG3' HD22 ' A' ' 123' ' ' LEU . 4.9 mt-30 -55.79 -35.11 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.59 -11.46 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.574 ' HG2' ' HB3' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -98.35 -32.67 11.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 133' ' ' ALA . 55.4 t -69.27 -45.21 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.66 -33.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.873 ' O ' HG22 ' A' ' 135' ' ' THR . 0.2 OUTLIER -72.52 -49.31 33.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.516 ' HB1' HG23 ' A' ' 57' ' ' VAL . . . -50.99 -26.12 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 91' ' ' PRO . 25.8 mt -58.0 -27.85 63.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.873 HG22 ' O ' ' A' ' 132' ' ' LYS . 9.0 t -89.69 -3.15 58.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.66 HG13 HD12 ' A' ' 6' ' ' LEU . 55.0 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.542 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.97 173.66 14.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.407 ' C ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.95 -58.3 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -31.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.66 HD12 HG13 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -85.48 -67.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -43.84 -28.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 6' ' ' LEU . 5.0 mm100 -66.48 -52.66 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.451 ' HB1' ' OH ' ' A' ' 28' ' ' TYR . . . -56.76 -52.27 65.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 101' ' ' PHE . 81.5 mt -57.09 -56.31 23.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.04 -54.29 44.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.11 -48.64 61.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 14.4 t80 -50.24 -62.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -56.45 -25.3 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -77.82 -34.98 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.2 mt -73.62 159.18 85.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.476 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.3 Cg_endo -74.96 136.63 20.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -34.77 -69.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.8 pm0 -34.9 -57.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' CG ' ' A' ' 17' ' ' PRO . 15.5 mt -59.5 -55.07 39.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' LEU . 10.6 mtt180 -37.59 -56.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -43.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.7 mm-40 -69.14 -44.48 72.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG1' ' CE1' ' A' ' 28' ' ' TYR . 79.5 t -48.05 -64.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.525 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 74.5 mt -40.31 -42.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.9 mm? -66.0 -55.67 15.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.1 mt-10 -45.81 -50.97 13.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.583 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.5 m-30 -45.23 -55.2 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -58.82 -29.8 67.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -71.57 -27.4 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.61 31.69 1.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.837 HG22 ' HD2' ' A' ' 83' ' ' ARG . 54.7 t -121.41 102.03 43.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 161.41 38.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.2 Cg_endo -74.99 155.86 43.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.3 Cg_endo -74.99 155.05 42.94 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 156.09 43.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.05 121.01 6.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.84 -31.85 4.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.486 HG21 ' HG2' ' A' ' 36' ' ' PRO . 54.1 t -67.24 126.92 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -95.12 118.64 32.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 53' ' ' VAL . 2.0 mp -104.28 151.21 23.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -103.42 126.39 50.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 17.8 ttp180 -63.13 144.86 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 51' ' ' PHE . 89.5 t -97.22 91.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -55.26 -42.87 74.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.58 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -49.68 -24.47 2.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 t -102.22 129.7 48.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -53.73 -40.35 66.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.8 p -81.93 153.9 69.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.97 76.07 3.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.7 t80 -92.69 100.88 13.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 6.4 m-85 -90.45 138.76 31.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.653 HG12 ' HD1' ' A' ' 66' ' ' PHE . 19.6 m -140.62 160.98 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.46 ' N ' HD23 ' A' ' 41' ' ' LEU . 75.9 t60 -151.56 121.53 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -112.8 136.56 52.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' ARG . 16.4 m-20 -165.09 168.99 16.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.804 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.7 OUTLIER -136.42 126.69 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -121.16 101.86 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.1 -82.11 0.72 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.05 19.89 0.65 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 2.3 mtmp? -136.96 149.76 47.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.928 HG23 HD11 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -95.58 129.84 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.674 ' C ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -96.48 125.36 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.928 HD11 HG23 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -108.57 141.24 40.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 93.7 m-85 -141.66 119.65 12.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.902 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 33.1 m-85 -118.47 136.59 53.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -127.97 116.72 20.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.47 HG12 ' H ' ' A' ' 71' ' ' GLU . 14.9 t -125.32 113.1 25.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -62.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -54.66 -21.52 10.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.47 ' H ' HG12 ' A' ' 68' ' ' VAL . 3.7 mt-10 66.26 39.82 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -63.54 132.97 95.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.812 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.5 Cg_endo -75.0 -9.47 20.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.6 p -96.29 -40.27 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.486 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 45.3 t -73.33 -36.79 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.658 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.8 tttp -78.27 -46.05 21.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.812 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -40.09 -64.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.959 ' CD1' HD13 ' A' ' 119' ' ' LEU . 3.2 t80 -46.29 -57.4 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.902 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -39.47 -57.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 83' ' ' ARG . . . -52.5 -35.05 43.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.748 ' O ' HD23 ' A' ' 81' ' ' LEU . 3.3 tt -63.65 -41.37 98.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.572 ' CA ' HD12 ' A' ' 86' ' ' LEU . 2.9 mm? -61.85 -63.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.837 ' HD2' HG22 ' A' ' 32' ' ' VAL . 6.3 ptp180 -54.67 -38.48 66.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 8.4 mm-40 -37.22 -55.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.714 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -125.14 47.39 1.02 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.75 HD21 HG21 ' A' ' 97' ' ' VAL . 30.7 mt -155.92 -42.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.824 ' HA ' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -62.12 112.17 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.9 -8.59 63.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 1.097 ' OE1' ' HB3' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -73.71 -166.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.264 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.677 ' O ' ' OE1' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -92.31 164.82 21.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.011 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.58 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -11.37 21.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.31 -54.7 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 1.097 ' HB3' ' OE1' ' A' ' 89' ' ' GLU . . . -53.54 -26.0 19.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.99 HG23 ' CG ' ' A' ' 89' ' ' GLU . 2.3 t -72.36 -56.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.747 HD21 ' HB ' ' A' ' 130' ' ' VAL . 4.4 mm? -57.56 -33.89 68.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -58.51 -13.83 6.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.75 HG21 HD21 ' A' ' 86' ' ' LEU . 45.2 t -83.02 116.55 64.79 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 174.29 13.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.857 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -75.01 -22.44 14.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.05 36.41 4.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.539 ' O ' HD13 ' A' ' 10' ' ' LEU . 31.4 p90 -70.97 -7.56 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.643 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 5.3 p90 -99.3 -16.35 18.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -53.38 149.92 7.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.559 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 57.35 75.01 0.28 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 7.8 m-85 -172.64 -46.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.1 -34.59 1.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -58.74 -16.58 17.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.824 ' HA ' HD11 ' A' ' 116' ' ' LEU . 3.9 tt0 -62.92 -39.68 95.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -94.7 -46.66 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.425 ' CD2' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -43.06 -57.48 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.49 ' HE2' HD23 ' A' ' 107' ' ' LEU . 95.9 m-85 -88.05 14.98 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 111' ' ' PHE . 1.5 p 53.91 168.39 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.509 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -74.96 -37.15 2.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.797 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -69.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -39.06 -44.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.824 HD11 ' HA ' ' A' ' 108' ' ' GLU . 9.6 mt -43.4 -57.98 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.509 ' CD ' ' O ' ' A' ' 113' ' ' PRO . 1.7 mpt_? -38.79 -57.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -55.92 -36.86 68.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.959 HD13 ' CD1' ' A' ' 78' ' ' PHE . 10.6 mt -66.48 -53.35 36.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 121' ' ' ALA . 3.2 mt-10 -42.82 -62.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.581 ' HB1' ' HE ' ' A' ' 125' ' ' ARG . . . -30.97 -45.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -46.42 -65.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.585 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.3 tm? -57.07 -50.96 71.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 99' ' ' PRO . 11.2 mp -43.36 -58.73 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.581 ' HE ' ' HB1' ' A' ' 121' ' ' ALA . 13.7 mtt-85 -52.88 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.52 HD21 ' HB ' ' A' ' 53' ' ' VAL . 4.6 mt -39.63 -58.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.6 ' HB3' HD13 ' A' ' 95' ' ' LEU . 10.2 mt-30 -51.37 -39.85 57.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -71.7 -23.03 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.572 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 19.7 mt-30 -83.92 -45.0 13.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.747 ' HB ' HD21 ' A' ' 95' ' ' LEU . 93.0 t -58.2 -50.59 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.46 ' HG3' HD11 ' A' ' 95' ' ' LEU . 7.6 mtp180 -42.42 -35.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 136' ' ' SER . 14.1 mmmt -63.21 -45.37 91.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.804 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -53.82 -47.05 71.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 134' ' ' LEU . 6.8 mp -49.59 -39.74 36.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.4 t -120.38 40.18 3.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' LYS . 29.5 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.038 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.492 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 22.3 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.492 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.0 175.61 11.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.809 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.04 -55.9 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -38.9 -43.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.521 HD22 ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.88 -69.91 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -39.26 -30.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' ' C ' ' A' ' 6' ' ' LEU . 1.3 mm-40 -73.86 -57.73 3.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -26.71 60.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.598 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 59.4 mt -82.29 -57.65 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.89 -45.24 67.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' LEU . 54.6 tp -58.62 -41.46 85.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 30.2 t80 -61.84 -64.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -54.81 -26.16 33.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.9 t -80.43 -37.29 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 20.8 mt -67.18 157.46 85.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.0 140.19 25.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -35.67 -69.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -32.94 -56.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' GLN . 13.9 mt -61.54 -53.82 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' NE ' ' O ' ' A' ' 16' ' ' LEU . 9.9 mtt180 -38.54 -48.31 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -46.78 -46.34 20.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.055 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 20' ' ' LEU . 2.7 mm100 -66.21 -49.67 66.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.097 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG11 ' HD1' ' A' ' 13' ' ' PHE . 16.9 t -40.66 -65.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.617 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 61.8 mt -39.49 -51.83 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 26' ' ' LEU . 3.4 mm? -57.86 -57.5 12.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.5 mt-10 -38.33 -60.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.814 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.8 m-30 -48.76 -47.37 41.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -60.54 -16.9 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -93.49 -23.32 18.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -97.17 41.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 28' ' ' TYR . 57.4 t -125.86 90.76 49.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 156.31 43.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.21 42.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.455 ' CG ' HD11 ' A' ' 41' ' ' LEU . 18.3 Cg_endo -75.07 169.28 22.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.87 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.96 160.36 40.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.68 3.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.01 -58.4 0.71 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.87 HG11 ' HD2' ' A' ' 36' ' ' PRO . 11.5 p -42.08 137.65 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -96.29 136.25 37.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD11 ' CG ' ' A' ' 35' ' ' PRO . 1.1 mt -118.73 139.67 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.11 128.45 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -70.87 124.8 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -74.96 90.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' CYS . 17.2 m-70 -64.86 -43.31 93.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.643 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.486 ' CB ' ' HB2' ' A' ' 121' ' ' ALA . 7.5 mm-40 -38.29 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -105.64 156.5 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -95.43 47.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -148.59 152.87 38.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 59.67 5.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -102.48 108.94 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.46 ' O ' HG13 ' A' ' 53' ' ' VAL . 3.2 m-85 -102.07 158.33 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.952 ' HB ' HD21 ' A' ' 126' ' ' LEU . 20.6 m -154.46 156.1 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.447 ' N ' HD23 ' A' ' 41' ' ' LEU . 83.0 t60 -145.76 114.14 6.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.664 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.672 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -100.84 136.71 40.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 63' ' ' ARG . 11.6 m-20 -164.63 168.64 17.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.779 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.6 OUTLIER -135.41 126.05 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.81 101.41 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.4 -83.31 0.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.85 18.36 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 24.1 mtmt -138.08 154.12 49.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.8 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 89' ' ' GLU . 1.1 m -94.86 125.25 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.55 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 30.3 mmt180 -88.51 102.67 15.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 64' ' ' LEU . 6.8 mt -81.64 126.68 32.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 75.2 m-85 -128.28 118.82 23.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.599 ' CD1' HG12 ' A' ' 53' ' ' VAL . 66.9 m-85 -119.36 133.46 55.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -133.43 112.17 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.609 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.576 HG13 ' HD2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -136.66 117.5 11.11 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.1 Cg_endo -75.04 -64.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' PRO . 35.1 t70 -39.24 -29.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.55 ' H ' HG22 ' A' ' 68' ' ' VAL . 3.3 mt-10 68.37 18.9 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 1.035 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -40.05 127.71 1.63 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.36 19.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.4 p -97.68 -32.49 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 1.035 HG22 ' HB3' ' A' ' 72' ' ' ALA . 8.4 m -82.22 -47.31 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.606 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -59.91 -46.75 88.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.19 -66.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CD1' HD13 ' A' ' 119' ' ' LEU . 2.3 t80 -43.53 -47.24 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.587 ' HB1' ' CG ' ' A' ' 66' ' ' PHE . . . -60.88 -55.82 28.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.615 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -54.66 -18.5 10.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.1 -57.79 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.448 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 8.9 mt -54.31 -31.36 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 27.4 ttt85 -82.28 -13.1 57.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 4.6 mm-40 -97.59 -1.97 42.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.483 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -127.72 -37.51 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.023 HD12 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -93.42 -69.78 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.68 ' C ' ' O ' ' A' ' 86' ' ' LEU . 6.9 tp10 -7.04 111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.68 1.89 87.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.897 ' O ' HG13 ' A' ' 62' ' ' VAL . 12.9 mm-40 -81.57 169.22 17.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.424 ' HB3' ' HD2' ' A' ' 91' ' ' PRO . 1.2 m -75.87 163.17 68.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.051 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.786 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -13.15 21.43 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.57 -49.81 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -59.29 -22.16 60.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.023 HG22 HD12 ' A' ' 86' ' ' LEU . 2.5 t -77.48 -44.68 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.828 HD11 ' HG3' ' A' ' 131' ' ' ARG . 4.0 mm? -66.72 -38.16 86.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.26 -20.64 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.838 HG21 HD11 ' A' ' 86' ' ' LEU . 61.8 t -65.9 117.87 46.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.01 167.91 26.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.641 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.2 Cg_endo -75.03 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.96 53.84 0.63 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.448 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 7.1 p90 -78.88 4.25 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -112.43 -1.44 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -52.72 -56.04 18.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.586 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . -76.73 53.82 3.31 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.598 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 98.2 m-85 -164.44 -163.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -125.42 58.9 0.66 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 10' ' ' LEU . 4.5 mt -99.2 -32.97 10.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -64.4 -36.76 85.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -48.71 -23.94 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -105.66 -48.47 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -91.54 117.44 29.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.8 p -53.39 163.38 0.99 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.28 16.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -50.84 10.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 118' ' ' GLY . 0.2 OUTLIER -63.84 -42.04 97.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.95 -50.58 14.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -50.9 -32.22 19.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -85.9 -18.68 59.23 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.513 HD13 ' CD1' ' A' ' 78' ' ' PHE . 7.6 mt -85.82 -55.03 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 0.804 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.51 ' O ' HD22 ' A' ' 124' ' ' LEU . 21.3 mm-40 -41.35 -41.84 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.486 ' HB2' ' CB ' ' A' ' 46' ' ' GLU . . . -41.59 -50.14 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 121' ' ' ALA . . . -36.47 -48.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 31.9 tp -66.67 -68.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.681 ' H ' HD22 ' A' ' 124' ' ' LEU . 1.5 mm? -40.85 -51.4 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.593 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 3.0 ttt85 -56.35 -65.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.952 HD21 ' HB ' ' A' ' 53' ' ' VAL . 16.7 mt -45.44 -55.87 5.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.672 ' HB3' HD13 ' A' ' 95' ' ' LEU . 93.5 mt-30 -48.84 -34.67 12.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -65.54 -33.49 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.671 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 28.7 mt-30 -77.42 -45.25 26.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.672 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 60.7 t -55.56 -50.81 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.828 ' HG3' HD11 ' A' ' 95' ' ' LEU . 4.1 mtt180 -44.93 -34.06 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 10.5 mmmm -63.01 -41.48 99.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.779 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -57.94 -35.67 71.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.3 mt -55.16 -42.97 73.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 66.9 p -104.39 17.4 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.437 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.039 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.878 HG12 ' HA ' ' A' ' 97' ' ' VAL . 5.0 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.0 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.02 -56.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 6.6 mmmt -35.98 -35.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -85.81 -65.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 0.3 OUTLIER -40.53 -31.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.36 -59.19 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.45 -34.55 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.661 HD11 ' HD2' ' A' ' 101' ' ' PHE . 76.4 mt -74.73 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -50.77 -50.0 56.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.871 HD13 ' N ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -51.85 -69.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.871 ' N ' HD13 ' A' ' 12' ' ' LEU . 33.4 t80 -37.54 -59.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -52.92 -41.14 64.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . 14.9 t -68.75 -34.86 76.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.746 ' CD1' HD11 ' A' ' 12' ' ' LEU . 20.8 mt -65.06 154.2 87.3 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.556 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.04 138.0 22.35 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -34.79 -69.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -34.39 -55.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.556 HD12 ' CG ' ' A' ' 17' ' ' PRO . 14.8 mt -63.05 -51.43 66.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 9.1 mtt180 -41.4 -55.34 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -41.7 -33.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' LEU . 4.0 mt-30 -74.81 -47.99 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.424 HG21 HD12 ' A' ' 16' ' ' LEU . 66.9 t -47.79 -62.98 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.601 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 37.6 mt -43.16 -43.19 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 26' ' ' LEU . 24.4 mt -65.82 -46.77 77.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 30' ' ' ALA . 3.2 mt-10 -54.43 -56.87 14.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.848 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.3 m-30 -42.71 -53.22 4.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -60.52 -32.25 71.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -72.01 -29.6 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 0.3 OUTLIER -95.63 45.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 28' ' ' TYR . 95.5 t -136.03 96.14 13.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.67 39.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.14 43.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 160.86 39.52 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.556 1.819 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.841 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.05 164.42 33.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.35 9.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.75 55.88 0.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.841 HG11 ' HD2' ' A' ' 36' ' ' PRO . 11.4 p -161.82 143.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -112.34 127.3 55.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.15 155.3 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -116.31 118.78 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -54.93 141.43 33.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 51' ' ' PHE . 97.7 t -99.11 93.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.36 -35.95 78.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.06 -23.77 14.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -102.96 156.62 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -65.49 -77.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.3 p -58.67 160.88 9.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.04 80.24 2.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.779 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.3 t80 -88.75 103.89 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 11.7 m-85 -90.76 129.11 36.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.855 ' HB ' HD21 ' A' ' 126' ' ' LEU . 24.4 m -135.58 157.65 39.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.451 ' CD2' ' CG2' ' A' ' 39' ' ' VAL . 80.7 t60 -158.25 134.13 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.603 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.66 134.03 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 5.4 m-20 -139.37 173.64 11.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 93.2 t -132.26 122.15 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.03 112.21 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.97 16.34 58.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.75 -4.55 84.99 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -104.73 173.82 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 89' ' ' GLU . 1.1 m -109.41 127.31 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.594 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -87.8 121.12 29.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.679 ' N ' HD12 ' A' ' 64' ' ' LEU . 2.2 mp -97.71 141.52 30.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 66.2 m-85 -146.42 119.05 8.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.594 ' HD1' HG12 ' A' ' 53' ' ' VAL . 40.4 m-85 -128.94 139.23 52.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -138.15 113.16 9.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.604 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.4 t -120.94 119.83 29.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -57.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -16.35 60.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 67.1 26.02 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -42.37 116.39 1.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.542 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -75.04 -10.5 21.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 p -94.77 -24.71 16.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.508 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 23.9 t -94.03 -45.3 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.604 ' HG3' HG21 ' A' ' 68' ' ' VAL . 2.2 tttt -63.46 -40.41 97.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -44.13 -65.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 3.5 t80 -45.26 -45.0 11.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.582 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -60.17 -47.2 86.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.37 -25.57 62.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD21 HD21 ' A' ' 10' ' ' LEU . 3.0 tp -72.43 -49.92 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.482 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 5.9 mt -57.85 -31.68 66.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 13.7 ttt85 -84.0 -11.83 56.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -97.37 -0.9 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.499 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -130.5 -39.0 0.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.005 HD12 HG12 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -93.18 -69.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.262 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 86' ' ' LEU . 1.3 tt0 -1.22 105.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.14 8.42 81.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.902 ' O ' HG13 ' A' ' 62' ' ' VAL . 23.4 mm-40 -89.71 166.68 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.991 ' O ' HG13 ' A' ' 94' ' ' VAL . 97.3 p -79.37 158.76 73.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.715 ' HA ' HG22 ' A' ' 94' ' ' VAL . 18.1 Cg_endo -75.06 -8.04 19.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.37 -32.22 17.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -85.26 -16.75 39.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.005 HG12 HD12 ' A' ' 86' ' ' LEU . 9.0 m -87.54 -47.83 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 91' ' ' PRO . 1.9 mt -57.4 -42.15 81.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 12.8 pt-20 -56.99 -38.82 73.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.878 ' HA ' HG12 ' A' ' 2' ' ' VAL . 49.2 t -57.02 116.19 12.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.416 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.01 172.17 16.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -13.9 21.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.5 36.82 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.661 ' HD2' HD11 ' A' ' 10' ' ' LEU . 29.7 p90 -74.42 -10.59 59.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.87 ' HB2' HD23 ' A' ' 107' ' ' LEU . 37.5 p90 -94.51 -14.83 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -50.69 137.26 20.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 61.3 78.2 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 4.6 m-85 -171.16 -47.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.98 -40.28 0.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.87 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -48.2 -53.98 15.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.66 ' HA ' HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -48.04 -29.6 3.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.55 -60.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.432 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -45.5 -64.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.601 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 17.6 m-85 -80.2 139.79 36.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 112' ' ' THR . 27.6 p -62.86 160.85 33.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -10.39 21.15 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.94 -53.5 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -67.83 -27.12 66.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.672 HD22 ' CZ ' ' A' ' 102' ' ' TYR . 4.4 mt -61.14 -48.09 83.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -39.27 -46.46 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' LEU . . . -69.29 -56.69 8.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.577 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.4 mp -39.91 -35.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.25 -53.45 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.694 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -42.52 -44.29 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.01 -65.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.577 HD21 ' O ' ' A' ' 97' ' ' VAL . 42.3 tp -49.0 -57.53 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 121' ' ' ALA . 4.3 mt -45.57 -61.83 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.3 OUTLIER -51.1 -59.36 4.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.855 HD21 ' HB ' ' A' ' 53' ' ' VAL . 6.1 mt -47.14 -47.14 23.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 63.5 mt-30 -64.17 -26.06 68.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -77.16 -18.93 57.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -89.87 -25.68 20.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 126' ' ' LEU . 60.0 t -76.92 -46.83 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -47.91 -26.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 135' ' ' THR . 17.3 mmmt -77.6 -38.2 48.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -65.82 -36.12 82.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.96 -41.93 68.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 132' ' ' LYS . 12.8 t -85.44 11.56 10.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttm . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.543 0.211 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 17.3 t -48.4 140.81 9.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.02 174.55 12.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -75.04 -53.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' PRO . 2.7 mmmt -38.3 -38.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.595 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -84.71 -61.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -41.14 -33.75 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -49.56 60.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.683 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -58.44 -49.25 77.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.872 HD13 ' CE2' ' A' ' 105' ' ' TYR . 71.6 mt -62.28 -60.28 3.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -47.58 -46.6 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LEU . 43.7 tp -62.58 -36.58 83.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.41 -60.74 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -56.62 -18.16 11.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -91.14 -38.35 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.537 HD13 HG21 ' A' ' 24' ' ' VAL . 19.7 mt -66.3 156.08 86.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.492 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.3 Cg_endo -75.0 134.05 17.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 17' ' ' PRO . 38.7 tttt -34.78 -68.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.1 pt-20 -35.41 -48.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' A' ' 17' ' ' PRO . 13.6 mt -69.63 -48.99 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 18' ' ' LYS . 9.6 mtt85 -39.99 -39.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 t -63.44 -52.07 63.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.63 -27.81 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.537 HG21 HD13 ' A' ' 16' ' ' LEU . 51.8 t -68.99 -54.32 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.548 HD12 ' CD1' ' A' ' 110' ' ' PHE . 13.9 mt -51.78 -33.71 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.71 -61.14 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.3 mt-10 -41.73 -51.93 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -42.25 -57.73 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -52.85 -38.2 61.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -64.49 -23.91 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' CZ ' ' A' ' 83' ' ' ARG . 0.8 OUTLIER -100.03 41.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' HD3' ' A' ' 83' ' ' ARG . 55.5 t -125.89 97.06 36.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.51 42.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.12 42.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 165.05 32.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.764 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.96 159.53 41.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.39 4.57 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.99 -57.07 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.764 HG11 ' HD2' ' A' ' 36' ' ' PRO . 7.3 p -39.9 142.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -108.33 127.31 53.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.1 143.83 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -101.02 130.11 46.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.41 146.48 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.481 HG22 ' CD ' ' A' ' 125' ' ' ARG . 89.1 t -103.57 91.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -48.43 71.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.662 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.11 -41.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.481 ' H ' HG12 ' A' ' 44' ' ' VAL . 33.2 t -87.11 144.92 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -60.57 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -62.35 155.49 66.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.01 74.46 4.0 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 7.4 t80 -87.93 119.1 27.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 10.6 m-85 -108.67 132.88 53.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.74 ' HB ' HD21 ' A' ' 126' ' ' LEU . 21.6 m -133.64 161.69 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 80.9 t60 -159.4 112.95 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 126' ' ' LEU . . . -102.12 140.02 36.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' ARG . 30.1 m-20 -165.04 170.45 15.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.989 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -135.34 124.43 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.34 114.5 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.58 -79.73 1.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.04 26.22 0.36 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 13.9 mttp -141.87 155.69 45.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 89' ' ' GLU . 22.4 t -84.02 153.48 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 3.0 mmt-85 -130.77 102.13 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 8.4 mt -86.08 142.07 28.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 75.0 m-85 -143.56 120.01 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.605 ' HD1' HG12 ' A' ' 53' ' ' VAL . 96.0 m-85 -123.57 153.35 40.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -142.11 112.38 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.627 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.413 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.9 t -111.94 117.41 48.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.416 ' CG ' ' HG2' ' A' ' 50' ' ' PRO . 18.1 Cg_endo -75.04 -52.8 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -77.91 0.7 23.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 5.0 pt-20 46.83 38.06 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.947 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -52.99 139.33 43.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.628 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -74.99 -36.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.811 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.5 p -78.28 -27.2 47.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.947 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 37.2 t -80.33 -47.21 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.542 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 8.8 tttt -68.51 -43.7 76.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -40.07 -67.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.706 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 43.4 t80 -53.72 -58.31 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -40.72 -36.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -76.08 -47.35 11.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.041 HD22 ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.19 -32.45 64.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 81' ' ' LEU . 56.0 mt -63.66 -53.44 51.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -71.7 -30.46 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.683 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -53.26 -33.62 53.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.495 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -127.51 40.52 1.74 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.77 HD22 HG22 ' A' ' 94' ' ' VAL . 76.7 mt -154.48 -44.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.91 108.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.245 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.66 -20.17 39.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.93 ' O ' HG23 ' A' ' 62' ' ' VAL . 73.1 mm-40 -62.65 -179.03 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.517 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 1.5 m -89.29 160.71 41.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.45 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.0 -11.53 21.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.73 -35.68 12.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.712 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -74.1 -36.17 64.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.77 HG22 HD22 ' A' ' 86' ' ' LEU . 15.6 t -69.16 -22.42 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.745 HD21 ' O ' ' A' ' 127' ' ' GLN . 8.5 mt -88.58 -34.69 17.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.05 -10.78 32.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 93' ' ' ALA . 48.5 t -75.57 127.75 85.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.79 32.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.463 1.77 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.45 11.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.99 57.08 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.595 ' CE1' HD11 ' A' ' 6' ' ' LEU . 28.5 p90 -87.7 3.45 47.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.768 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 2.5 p90 -109.23 9.24 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -85.53 -37.25 19.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . -81.18 49.98 4.1 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.872 ' CE2' HD13 ' A' ' 10' ' ' LEU . 65.5 m-85 -165.12 -109.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -168.15 45.18 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.524 HD21 HD21 ' A' ' 25' ' ' LEU . 1.9 mt -101.33 -45.25 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 1.019 ' HA ' HD11 ' A' ' 116' ' ' LEU . 2.1 tt0 -50.81 -43.36 58.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -3.84 20.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.548 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -102.41 -42.48 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.511 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 37.4 m-85 -104.36 16.62 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.443 ' O ' ' O ' ' A' ' 111' ' ' PHE . 4.7 p 54.28 164.87 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.419 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.13 20.79 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -86.19 -68.01 0.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.5 ttm180 -42.43 -31.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 1.019 HD11 ' HA ' ' A' ' 108' ' ' GLU . 25.8 mt -62.09 -47.58 83.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 116' ' ' LEU . 25.9 mtt180 -35.54 -49.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -71.57 -55.03 7.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.71 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -48.95 -42.54 37.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.455 ' CG ' ' OH ' ' A' ' 102' ' ' TYR . 22.5 mt-10 -57.63 -60.04 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -38.73 -33.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -54.62 -57.1 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 120' ' ' GLU . 16.3 tp -60.05 -61.99 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.7 mt -41.03 -53.03 3.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.481 ' CD ' HG22 ' A' ' 44' ' ' VAL . 30.3 mtt85 -55.36 -64.52 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.74 HD21 ' HB ' ' A' ' 53' ' ' VAL . 5.7 mt -45.15 -51.98 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.745 ' O ' HD21 ' A' ' 95' ' ' LEU . 7.4 mt-30 -51.54 -30.31 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -80.03 -24.17 40.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.497 ' HA ' ' CD ' ' A' ' 132' ' ' LYS . 7.5 mt-30 -85.29 -18.27 34.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 126' ' ' LEU . 26.5 t -77.89 -51.2 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 130' ' ' VAL . 13.2 mtp85 -35.39 -38.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' A' ' 129' ' ' GLN . 0.1 OUTLIER -65.49 -53.99 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.231 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.989 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -43.8 -47.66 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.236 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.444 ' CD1' HG12 ' A' ' 130' ' ' VAL . 8.3 mp -44.58 -45.03 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.589 ' O ' HG23 ' A' ' 135' ' ' THR . 9.9 t -125.0 43.19 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 132' ' ' LYS . 44.3 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.472 0.177 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.622 ' CG1' HD12 ' A' ' 6' ' ' LEU . 21.9 t 65.16 140.71 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 174.48 12.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.441 1.758 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.94 -58.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -38.06 -31.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.622 HD12 ' CG1' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -86.26 -68.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -41.5 -31.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -65.77 -50.98 62.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.2 -51.23 70.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 92.9 mt -59.13 -54.61 45.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -53.24 -44.13 67.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' LEU . 33.4 tp -67.56 -36.81 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 21' ' ' ARG . 13.7 t80 -56.45 -63.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.2 ttpt -57.19 -23.32 46.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -84.88 -24.0 28.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.61 HD13 HG21 ' A' ' 24' ' ' VAL . 19.7 mt -75.39 161.75 75.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.586 ' HG2' HD13 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -75.0 140.18 25.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.464 1.77 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' GLU . 5.9 tttm -36.29 -68.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.79 ' HG3' HD12 ' A' ' 20' ' ' LEU . 1.6 tp10 -33.37 -48.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.79 HD12 ' HG3' ' A' ' 19' ' ' GLU . 9.6 mp -72.42 -48.83 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.485 ' HB3' ' CE2' ' A' ' 110' ' ' PHE . 37.7 mtt180 -38.19 -31.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -90.55 -41.96 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -62.67 -51.83 65.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.61 HG21 HD13 ' A' ' 16' ' ' LEU . 18.7 t -44.85 -53.07 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.62 HD13 ' CE2' ' A' ' 111' ' ' PHE . 48.0 mt -48.43 -45.45 36.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 26' ' ' LEU . 7.7 mt -59.78 -58.85 6.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.4 mt-10 -47.16 -54.69 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.515 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 2.9 m-30 -40.65 -47.1 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -60.63 -42.78 97.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -61.05 -19.94 61.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' O ' ' CZ ' ' A' ' 83' ' ' ARG . 1.5 mptp? -100.47 38.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 28' ' ' TYR . 79.3 t -122.2 94.04 48.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.7 42.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -74.97 155.75 43.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.1 Cg_endo -75.03 168.09 25.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.813 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.842 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.97 158.36 42.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 112.42 3.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.24 -57.78 0.72 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.842 HG11 ' HD2' ' A' ' 36' ' ' PRO . 14.3 p -39.98 141.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -101.98 141.88 34.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.51 145.32 50.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -100.01 123.06 43.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -60.16 138.57 57.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 51' ' ' PHE . 96.0 t -88.09 91.02 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -55.82 -47.28 77.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -45.93 -24.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' GLN . 1.8 t -118.86 100.15 7.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' CYS . 11.2 mt-30 -37.33 -42.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 33.0 p -52.58 146.78 16.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' THR . 18.3 Cg_endo -74.96 65.43 6.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.4 t80 -105.52 103.08 12.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -100.61 150.28 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.717 HG12 ' CD1' ' A' ' 66' ' ' PHE . 30.3 m -143.21 159.24 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.426 ' CD2' ' CG2' ' A' ' 39' ' ' VAL . 86.3 t60 -149.39 129.88 13.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.809 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -117.9 136.08 53.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 74.9 m-20 -144.59 174.66 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.8 t -130.36 115.07 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.98 125.06 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.07 34.98 89.91 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.15 3.0 55.43 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -114.43 154.79 27.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.751 HG23 HD12 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -96.18 127.36 48.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.536 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 2.5 mmm-85 -93.58 108.71 20.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.81 HD13 ' HA ' ' A' ' 87' ' ' GLU . 6.8 mp -82.24 133.49 35.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 49.3 m-85 -138.04 119.05 14.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.717 ' CD1' HG12 ' A' ' 53' ' ' VAL . 60.1 m-85 -117.93 149.98 40.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -145.87 114.38 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -138.89 112.57 8.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.96 -63.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.8 OUTLIER -39.29 -28.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' PRO . 18.4 mt-10 67.64 32.42 5.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 1.021 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -51.3 134.63 32.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.04 -10.73 21.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.567 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -97.81 -54.44 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 1.021 HG22 ' HB3' ' A' ' 72' ' ' ALA . 5.0 m -54.2 -49.98 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.781 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.5 tttt -60.99 -45.15 95.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 74' ' ' THR . . . -36.66 -68.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.778 ' CD1' HD23 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -45.52 -54.24 7.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -40.34 -50.66 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 84' ' ' GLU . . . -62.2 -34.63 89.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.778 HD23 ' CD1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -66.35 -42.0 88.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 78' ' ' PHE . 3.2 mm? -66.44 -57.48 7.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 31' ' ' LYS . 1.1 ptm180 -64.39 -12.11 39.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.515 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 3.8 mm-40 -71.28 -34.75 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.681 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -141.86 46.8 0.87 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 85' ' ' GLY . 49.1 mt -155.81 -44.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.81 ' HA ' HD13 ' A' ' 64' ' ' LEU . 7.3 tm-20 -51.08 111.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.18 -14.01 66.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.697 ' O ' HG13 ' A' ' 62' ' ' VAL . 6.3 mm-40 -65.91 -176.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.757 ' O ' HG23 ' A' ' 94' ' ' VAL . 1.2 m -92.82 163.15 26.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.827 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.96 -35.19 3.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 2.6 mm-40 -70.68 -35.52 72.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.14 -30.61 49.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 90' ' ' SER . 21.5 t -72.95 -46.47 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.6 mm? -61.09 -37.09 81.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 3.8 mm-40 -57.46 -16.76 10.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.463 HG21 HD21 ' A' ' 86' ' ' LEU . 46.3 t -77.51 113.82 35.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.89 21.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.01 10.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.81 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.489 ' HA2' ' CE2' ' A' ' 102' ' ' TYR . . . -137.01 48.42 0.91 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 10' ' ' LEU . 7.0 p90 -78.24 1.77 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.489 ' CE2' ' HA2' ' A' ' 100' ' ' GLY . 50.8 p90 -105.92 -36.11 7.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 102' ' ' TYR . 17.5 mtt-85 -36.9 119.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 116.9 -69.21 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 46.9 m-85 -38.07 -85.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 0.767 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 158.71 58.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.54 HD11 ' CD2' ' A' ' 10' ' ' LEU . 1.9 mt -100.7 -39.09 8.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.474 ' HA ' HD11 ' A' ' 116' ' ' LEU . 15.4 mt-10 -58.53 -48.21 81.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -40.8 -28.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 21' ' ' ARG . 87.4 m-85 -104.29 -50.66 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.62 ' CE2' HD13 ' A' ' 25' ' ' LEU . 42.9 m-85 -76.93 107.27 9.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 111' ' ' PHE . 59.7 p -38.87 158.59 0.1 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -8.07 19.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 114' ' ' LEU . 2.4 mm? -88.43 -66.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.407 ' NH1' HG21 ' A' ' 74' ' ' THR . 69.7 mtt180 -48.62 -42.91 35.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 108' ' ' GLU . 14.9 mt -40.89 -60.19 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -41.06 -54.47 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.689 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -63.76 -56.53 18.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -39.83 -64.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -43.13 -44.25 4.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 118' ' ' GLY . . . -48.07 -38.84 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -49.4 -57.49 6.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.89 -53.38 58.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.6 -38.84 56.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 11.9 mtp85 -66.5 -61.52 1.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.543 HD21 ' HB ' ' A' ' 53' ' ' VAL . 3.3 mt -49.8 -51.19 41.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 19.6 mt-30 -52.52 -27.7 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.163 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -83.22 -26.96 30.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.689 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 80.4 mt-30 -82.2 -29.58 31.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.809 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 99.8 t -79.17 -55.63 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.808 ' HG3' HD11 ' A' ' 95' ' ' LEU . 7.3 mtt180 -42.79 -35.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.757 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -62.66 -44.82 95.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -54.38 -48.41 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 131' ' ' ARG . 7.9 mp -45.18 -51.98 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 132' ' ' LYS . 15.2 t -74.92 -25.39 58.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.416 ' N ' ' HB3' ' A' ' 96' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.516 0.198 . . . . 0.0 110.983 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 16.1 t -114.66 141.17 26.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.02 172.11 17.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.93 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' PRO . 1.1 mmmt -37.63 -32.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -87.64 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -43.63 -30.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -53.36 47.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.71 -57.06 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.568 HD11 ' HD1' ' A' ' 101' ' ' PHE . 48.6 mt -46.77 -56.9 5.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.23 -55.61 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.912 HD23 ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -48.82 -61.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.912 ' N ' HD23 ' A' ' 12' ' ' LEU . 21.2 t80 -42.76 -62.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 105' ' ' TYR . 5.3 tttp -56.19 -23.05 32.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.3 t -86.79 -7.21 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.948 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.655 HD11 HD21 ' A' ' 12' ' ' LEU . 60.7 mt -92.58 160.28 34.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.645 ' HG2' HD12 ' A' ' 20' ' ' LEU . 18.1 Cg_endo -75.08 127.91 11.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 17' ' ' PRO . 31.8 tttt -31.45 -67.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 12.8 pt-20 -35.95 -49.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.645 HD12 ' HG2' ' A' ' 17' ' ' PRO . 17.6 mt -68.55 -50.16 54.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.598 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 32.7 mtm-85 -48.12 -28.21 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.846 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -68.83 -33.47 73.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.8 pt20 -89.26 -36.31 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.487 HG21 HD13 ' A' ' 16' ' ' LEU . 55.1 t -52.92 -53.31 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 52.1 mt -53.88 -37.97 64.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.846 HD23 ' O ' ' A' ' 22' ' ' SER . 4.2 mm? -64.04 -55.82 19.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.8 mt-10 -47.91 -51.92 21.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.5 m-30 -44.1 -52.54 7.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -63.46 -32.52 73.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -85.89 -34.01 21.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' TYR . 51.2 t -41.28 101.29 0.24 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.81 43.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.4 Cg_endo -75.01 152.08 40.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.0 Cg_endo -75.04 155.82 42.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.612 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.1 Cg_endo -74.99 161.03 39.45 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.439 1.758 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 128.28 11.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.06 -31.9 7.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.612 HG21 ' HG2' ' A' ' 36' ' ' PRO . 13.8 t -63.69 134.19 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 4.7 tt0 -102.32 130.55 49.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.735 HD23 ' HA ' ' A' ' 53' ' ' VAL . 3.1 mp -114.83 152.04 32.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -109.93 134.1 52.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -71.63 138.35 48.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.762 HG22 ' HD3' ' A' ' 125' ' ' ARG . 89.6 t -95.95 94.9 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -30.23 71.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.626 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' OE1' ' HB2' ' A' ' 121' ' ' ALA . 1.3 tt0 -59.55 -15.23 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.426 ' C ' ' CG ' ' A' ' 48' ' ' GLN . 5.7 t -107.57 -18.59 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 108.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.426 ' CG ' ' C ' ' A' ' 47' ' ' CYS . 1.3 mt-30 79.32 -59.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -53.37 161.55 1.41 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 62.14 5.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -99.86 107.54 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.47 157.83 17.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.735 ' HA ' HD23 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -157.74 173.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 65.0 t60 -164.62 113.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.584 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -100.31 141.28 33.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 63' ' ' ARG . 19.4 m-20 -165.71 165.37 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.984 HG12 ' HB1' ' A' ' 133' ' ' ALA . 1.3 p -136.21 121.25 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.79 102.35 9.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.76 -80.77 0.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.6 23.08 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 6.8 pttt -140.32 141.95 35.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.744 HG21 HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -88.98 127.05 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -94.0 115.83 28.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 83' ' ' ARG . 11.3 mt -92.14 131.9 37.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.518 ' CD1' ' HD3' ' A' ' 36' ' ' PRO . 67.5 m-85 -134.89 123.38 23.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.671 ' CD1' HG23 ' A' ' 53' ' ' VAL . 70.0 m-85 -123.72 149.05 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -146.54 112.63 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.619 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -138.07 115.83 9.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.458 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.3 Cg_endo -74.91 -61.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 69' ' ' PRO . 16.6 t0 -39.19 -29.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 69' ' ' PRO . 11.5 mt-10 61.19 47.51 7.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.19 128.39 80.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.733 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.5 Cg_endo -74.93 -6.54 18.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 p -92.63 -33.2 14.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.0 t -92.12 -45.4 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 2.8 tttt -62.57 -42.6 99.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.93 -67.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 2.6 t80 -43.51 -46.18 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -46.75 -55.98 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -58.33 -40.18 93.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.446 1.092 . . . . 0.0 111.017 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.78 ' O ' HD23 ' A' ' 81' ' ' LEU . 4.3 tt -61.54 -42.09 98.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 0.738 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.77 -58.26 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -64.52 -23.76 67.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.537 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 4.4 mm-40 -54.62 -35.76 63.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.635 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -140.84 50.09 0.76 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 85' ' ' GLY . 66.4 mt -155.77 -45.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.42 113.86 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.14 -17.49 51.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.721 ' O ' HG13 ' A' ' 62' ' ' VAL . 44.7 mm-40 -68.44 -167.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.539 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 1.6 p -98.96 158.2 32.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.843 ' HG3' HG21 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.02 -8.83 20.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -93.19 -32.74 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -80.18 -35.17 36.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.744 HG21 HG21 ' A' ' 62' ' ' VAL . 60.5 t -69.46 -26.49 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.871 HD21 ' O ' ' A' ' 127' ' ' GLN . 10.6 mt -82.55 -33.35 28.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' HB3' ' N ' ' A' ' 1' ' ' MET . 2.9 mm-40 -69.46 -5.41 23.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 93' ' ' ALA . 75.4 t -80.33 127.56 75.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.22 41.72 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.33 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.66 24.79 3.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.568 ' HD1' HD11 ' A' ' 10' ' ' LEU . 4.7 p90 -54.06 -28.64 40.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.669 ' HB2' HD23 ' A' ' 107' ' ' LEU . 29.2 p90 -77.65 -28.84 51.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.453 ' HG2' ' CE1' ' A' ' 102' ' ' TYR . 8.2 mtp180 -47.39 128.46 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 72.13 77.17 0.56 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 7.6 m-85 -173.08 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 109' ' ' GLU . . . 154.04 -36.9 0.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.669 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -39.83 -54.25 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.805 ' HA ' HD11 ' A' ' 116' ' ' LEU . 2.5 tm-20 -55.52 -54.54 42.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 106' ' ' GLY . 2.4 mt-10 -40.11 -49.24 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -80.08 -54.69 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 112' ' ' THR . 54.6 m-85 -79.33 108.79 13.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 111' ' ' PHE . 7.3 p -41.04 162.67 0.11 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -5.83 17.3 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.43 1.752 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.97 -63.55 1.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -51.71 -35.91 44.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.805 HD11 ' HA ' ' A' ' 108' ' ' GLU . 11.5 mt -49.58 -48.98 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -39.98 -46.6 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.75 -51.7 49.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -49.33 -44.85 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.781 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -55.08 -49.02 72.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.546 ' HB2' ' OE1' ' A' ' 46' ' ' GLU . . . -54.39 -39.25 67.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -48.99 -53.18 21.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 127' ' ' GLN . 0.9 OUTLIER -65.95 -60.44 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' LEU . 17.0 mt -39.98 -35.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.762 ' HD3' HG22 ' A' ' 44' ' ' VAL . 8.1 mtt-85 -70.01 -55.83 8.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 130' ' ' VAL . 11.3 mt -53.76 -46.85 71.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.871 ' O ' HD21 ' A' ' 95' ' ' LEU . 26.4 mt-30 -56.84 -29.08 62.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.42 -40.49 29.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 51.0 mt-30 -65.7 -29.07 69.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 126' ' ' LEU . 58.0 t -65.48 -51.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 130' ' ' VAL . 20.9 mtp85 -36.34 -45.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -71.68 -46.45 58.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.984 ' HB1' HG12 ' A' ' 57' ' ' VAL . . . -54.07 -25.77 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 130' ' ' VAL . 17.8 mt -56.49 -39.84 73.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.7 p -101.7 -16.68 16.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.566 ' HG3' HG23 ' A' ' 2' ' ' VAL . 3.2 tpt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.506 0.193 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.848 HG13 HD23 ' A' ' 6' ' ' LEU . 45.7 t 67.21 141.58 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.505 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 173.57 14.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' CA ' ' OE1' ' A' ' 8' ' ' GLN . 18.4 Cg_endo -75.03 -55.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.8 OUTLIER -40.05 -43.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.848 HD23 HG13 ' A' ' 2' ' ' VAL . 16.2 tp -75.61 -68.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.0 tptm -39.48 -33.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.438 ' OE1' ' CA ' ' A' ' 4' ' ' PRO . 1.4 mp0 -63.58 -52.13 62.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -60.54 -58.65 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.68 HD11 ' HD1' ' A' ' 101' ' ' PHE . 71.1 mt -47.79 -50.81 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.25 -59.53 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 16' ' ' LEU . 41.3 tp -51.39 -43.25 61.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -51.84 -63.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -56.75 -29.73 62.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -76.87 -25.49 53.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . 27.8 mt -73.94 157.38 87.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.512 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -74.96 136.37 20.4 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 17' ' ' PRO . 6.7 tttt -34.78 -68.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -34.48 -56.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.608 HD22 ' OE1' ' A' ' 23' ' ' GLN . 24.1 mt -62.48 -46.8 86.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.486 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 14.0 mtt180 -46.81 -23.8 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -80.92 -38.0 28.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.061 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.608 ' OE1' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -71.39 -50.6 30.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.525 ' N ' ' CG ' ' A' ' 23' ' ' GLN . 3.4 p -46.12 -48.84 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.664 ' CD1' ' CE1' ' A' ' 110' ' ' PHE . 30.8 mt -51.96 -46.66 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.51 -48.08 73.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.4 mm-40 -50.64 -57.37 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 6.2 m-30 -41.11 -58.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.2 -36.34 40.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -68.88 -25.48 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' TYR . 1.2 mppp? -96.13 30.33 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 28' ' ' TYR . 55.0 t -119.44 100.02 49.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.67 41.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -75.01 156.12 42.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.4 Cg_endo -74.94 158.03 42.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.02 159.29 41.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.9 11.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.17 -32.91 5.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.47 HG21 ' HG2' ' A' ' 36' ' ' PRO . 21.5 t -64.13 129.6 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 5.4 tt0 -98.43 118.79 35.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.54 146.56 28.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -103.73 120.58 41.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -56.55 147.79 21.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.619 HG22 ' CD ' ' A' ' 125' ' ' ARG . 32.2 t -103.7 91.67 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.26 -36.32 79.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.622 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -21.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.3 t -104.32 158.39 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 108.325 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -71.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.441 ' OG1' HG11 ' A' ' 75' ' ' VAL . 70.4 p -64.45 157.2 73.59 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 77.48 3.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CE1' HG12 ' A' ' 53' ' ' VAL . 2.3 t80 -93.38 105.35 17.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -89.98 142.5 27.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.707 HG12 ' HD1' ' A' ' 66' ' ' PHE . 20.9 m -136.26 163.21 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 11.1 t60 -162.17 125.07 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.51 129.3 55.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 1.1 m-20 -136.95 174.49 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 93.6 t -126.34 102.34 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.07 101.99 13.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.4 -83.65 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.572 1.17 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.31 13.16 2.06 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 22.8 mtmt -124.54 160.35 28.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -95.57 126.62 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 9.7 mmt180 -89.57 121.08 31.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.699 ' N ' HD12 ' A' ' 64' ' ' LEU . 1.7 mp -102.09 137.45 40.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 36.9 m-85 -147.06 119.78 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.707 ' HD1' HG12 ' A' ' 53' ' ' VAL . 59.7 m-85 -124.55 145.3 49.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -138.67 114.04 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.599 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.701 HG11 ' CG2' ' A' ' 75' ' ' VAL . 3.5 t -125.8 116.69 24.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -63.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -21.5 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 66.97 25.39 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.957 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -42.5 126.39 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.484 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -75.02 -11.11 21.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 p -96.07 -28.14 14.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.957 HG22 ' HB3' ' A' ' 72' ' ' ALA . 3.2 m -87.83 -45.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 75' ' ' VAL . 2.2 tttt -63.41 -49.96 71.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -38.92 -63.57 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.81 ' CD2' HD22 ' A' ' 119' ' ' LEU . 6.9 t80 -47.04 -52.31 15.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.75 -37.91 14.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.12 -26.61 63.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD23 ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -77.61 -32.67 53.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 86' ' ' LEU . 86.6 mt -69.79 -49.2 55.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.492 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -74.75 -13.41 60.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.542 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 3.4 mm-40 -59.75 -41.74 91.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.578 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -130.92 48.99 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.718 HD21 HG21 ' A' ' 97' ' ' VAL . 68.4 mt -154.99 -43.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.649 ' HA ' HD13 ' A' ' 64' ' ' LEU . 1.1 tt0 -48.52 119.15 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.07 -19.47 34.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.75 ' O ' HG13 ' A' ' 62' ' ' VAL . 64.0 mm-40 -65.18 177.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 1.008 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -88.25 158.49 49.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.703 ' HA ' HG22 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -74.98 -12.84 21.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.783 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -84.99 -33.89 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.9 -35.08 29.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.008 HG13 ' O ' ' A' ' 90' ' ' SER . 11.6 m -66.35 -48.48 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 127' ' ' GLN . 6.0 mt -56.46 -36.74 69.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.88 -11.44 18.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.718 HG21 HD21 ' A' ' 86' ' ' LEU . 21.5 t -74.76 120.34 81.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.522 ' O ' HD13 ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.0 160.2 40.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.03 8.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 102' ' ' TYR . . . -132.66 22.84 4.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.68 ' HD1' HD11 ' A' ' 10' ' ' LEU . 14.0 p90 -50.8 -31.86 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.557 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 41.7 p90 -72.23 -25.51 61.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HG3' ' CA ' ' A' ' 100' ' ' GLY . 21.5 mtp180 -51.02 145.84 6.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 56.55 80.13 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.9 m-85 -178.47 -45.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 150.59 -36.89 0.91 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mt -50.7 -24.07 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 0.736 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.05 -39.89 71.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -9.84 58.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -91.33 -63.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -83.74 130.6 34.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.0 p -54.1 157.2 4.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.88 16.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mt -87.54 -49.92 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -37.43 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 102' ' ' TYR . 9.1 mt -50.74 -44.4 58.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -54.46 -33.42 59.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.64 -31.92 25.87 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.81 HD22 ' CD2' ' A' ' 78' ' ' PHE . 19.5 mt -67.11 -36.67 82.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.55 -49.95 75.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.49 49.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -49.62 -57.55 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.731 HD23 ' C ' ' A' ' 123' ' ' LEU . 3.2 tt -57.25 -61.46 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.9 mt -44.74 -57.24 3.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.619 ' CD ' HG22 ' A' ' 44' ' ' VAL . 68.3 mtt-85 -46.82 -67.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.629 HD21 ' HB ' ' A' ' 53' ' ' VAL . 2.9 mt -41.24 -56.45 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.643 ' CD ' HD21 ' A' ' 123' ' ' LEU . 88.5 mt-30 -51.38 -36.46 43.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -69.91 -20.88 63.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 54' ' ' HIS . 8.1 mt-30 -87.49 -11.03 50.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' CB ' ' A' ' 91' ' ' PRO . 78.0 t -95.59 -49.01 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -46.83 -41.88 16.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.917 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -69.26 -32.88 72.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.509 ' N ' ' CD ' ' A' ' 132' ' ' LYS . . . -68.14 -30.63 69.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 91' ' ' PRO . 15.4 mt -62.47 -42.64 99.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.917 HG22 ' O ' ' A' ' 132' ' ' LYS . 15.0 t -71.55 -6.57 41.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.518 0.199 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.51 HG13 HD12 ' A' ' 6' ' ' LEU . 23.3 t -46.66 141.13 5.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.49 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.06 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.545 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -41.96 -37.6 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.51 HD12 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -80.24 -64.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -41.77 -32.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -47.57 81.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.764 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -65.17 -64.73 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.637 HD11 ' HD1' ' A' ' 101' ' ' PHE . 70.9 mt -40.95 -44.95 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -72.36 -65.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LEU . 28.8 tp -41.66 -45.76 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 10.2 t80 -57.8 -62.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -55.83 -19.11 10.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -89.11 -32.6 17.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.444 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 34.6 mt -70.55 160.32 81.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.671 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.01 134.73 18.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -33.96 -68.68 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 18' ' ' LYS . 2.1 pt-20 -34.92 -57.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.671 HD12 ' CG ' ' A' ' 17' ' ' PRO . 18.2 mt -57.37 -55.78 30.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.9 mtt180 -38.81 -31.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -64.52 -53.9 40.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.986 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.535 ' NE2' HD23 ' A' ' 20' ' ' LEU . 1.1 pt20 -66.14 -39.91 90.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -50.25 -64.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.629 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 78.7 mt -44.08 -39.83 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 26' ' ' LEU . 1.3 mm? -61.02 -56.09 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.1 -53.8 24.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -41.04 -44.7 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -64.3 -47.93 77.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.22 -19.97 16.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.05 24.51 3.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' CE ' ' A' ' 76' ' ' LYS . 58.0 t -116.17 100.99 53.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.51 36.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.1 Cg_endo -75.01 154.74 42.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -74.99 148.55 35.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.97 153.25 41.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.02 55.59 4.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.2 36.18 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 78.9 t -138.8 124.6 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -87.64 113.74 23.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mp -100.93 144.09 30.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -100.92 143.38 31.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -81.13 130.78 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.435 HG22 ' HD3' ' A' ' 125' ' ' ARG . 48.6 t -93.63 91.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -54.64 -39.87 68.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.569 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -43.44 -31.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.2 t -100.25 124.87 46.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.338 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -55.82 -33.12 64.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.0 p -77.34 155.88 81.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.611 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.2 Cg_endo -75.02 66.99 6.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.799 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -91.05 141.76 28.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' ' O ' ' A' ' 50' ' ' PRO . 8.2 m-85 -137.82 140.59 40.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.118 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.9 p -143.92 155.28 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -152.84 134.02 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.573 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB1' HG22 ' A' ' 130' ' ' VAL . . . -117.52 151.33 37.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 39.5 m-20 -158.9 166.89 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.522 ' CG2' ' HB1' ' A' ' 133' ' ' ALA . 96.9 t -116.17 107.39 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.53 123.27 37.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.85 46.52 94.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.25 23.36 40.47 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 20.4 mttm -125.52 177.53 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 89' ' ' GLU . 90.4 t -110.42 124.52 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.578 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 3.5 mmt85 -103.55 108.77 20.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.54 150.95 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 65.2 m-85 -153.32 120.24 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.427 ' CD1' HG23 ' A' ' 53' ' ' VAL . 92.2 m-85 -117.85 165.79 13.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -151.76 115.18 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.604 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.69 HG21 ' HD2' ' A' ' 76' ' ' LYS . 95.7 t -127.98 100.28 24.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -60.46 -10.16 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' CA ' HG12 ' A' ' 68' ' ' VAL . 4.6 mt-10 66.28 14.73 9.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.47 119.98 4.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -75.02 -52.91 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.764 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 p -42.58 -28.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' PRO . 85.9 t -94.04 -36.42 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.69 ' HD2' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -60.66 -50.59 72.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 25' ' ' LEU . . . -46.85 -62.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 10.5 t80 -52.82 -56.8 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.34 -46.53 9.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 84' ' ' GLU . . . -68.19 -26.18 74.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -68.12 -41.12 82.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 78' ' ' PHE . 3.5 mm? -55.58 -59.19 5.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -62.6 -37.95 88.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.36 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.764 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -35.81 -36.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.558 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -147.88 54.35 0.52 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 85' ' ' GLY . 77.7 mt -156.27 -45.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.427 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 4.8 tt0 -55.65 115.53 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.61 -15.47 59.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 62' ' ' VAL . 52.8 mm-40 -68.65 -173.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 p -94.15 158.46 35.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.961 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.99 -9.18 20.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.62 -39.03 10.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.58 -32.23 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.449 HG22 HD22 ' A' ' 86' ' ' LEU . 3.4 t -68.51 -44.35 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.961 HD23 ' O ' ' A' ' 91' ' ' PRO . 3.9 mm? -58.17 -36.2 72.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.53 -27.56 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.492 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 25.6 t -63.64 112.77 7.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.407 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.0 164.59 33.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HA ' HD23 ' A' ' 123' ' ' LEU . 18.6 Cg_endo -74.92 -0.42 9.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -129.32 24.47 4.7 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.637 ' HD1' HD11 ' A' ' 10' ' ' LEU . 3.1 p90 -58.95 -23.45 61.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.625 ' HB2' HD23 ' A' ' 107' ' ' LEU . 21.7 p90 -81.68 -25.35 35.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -51.46 134.44 28.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 63.12 79.18 0.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 4.8 m-85 -175.6 -46.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 159.61 -43.25 0.45 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.684 ' N ' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -47.24 -43.27 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.734 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.39 -57.21 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.98 -47.17 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.98 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.629 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 56.7 m-85 -85.46 150.48 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.171 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -71.16 162.95 69.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -10.0 20.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -89.23 -54.52 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -31.15 65.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' GLY . 20.1 mt -67.74 -47.0 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' LEU . 8.3 mtm180 -38.78 -30.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -94.73 -55.87 1.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.591 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.2 mp -41.7 -36.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 121' ' ' ALA . 21.4 mm-40 -69.0 -47.76 64.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -39.34 -49.2 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.97 -70.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' ' 97' ' ' VAL . 60.9 tp -43.65 -57.81 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 121' ' ' ALA . 13.1 mt -45.76 -55.37 6.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.435 ' HD3' HG22 ' A' ' 44' ' ' VAL . 3.1 mtt85 -56.46 -59.55 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.118 HD21 ' CG2' ' A' ' 53' ' ' VAL . 3.7 mt -47.36 -50.18 22.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.563 ' HB3' HD13 ' A' ' 95' ' ' LEU . 49.6 mt-30 -60.97 -26.51 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -86.27 -15.72 39.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -98.64 -25.12 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 126' ' ' LEU . 33.2 t -80.82 -52.38 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.807 ' HG3' HD11 ' A' ' 95' ' ' LEU . 22.2 mtp180 -35.62 -33.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' VAL . 2.3 mtpp -66.07 -55.87 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.522 ' HB1' ' CG2' ' A' ' 57' ' ' VAL . . . -43.89 -47.35 8.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' A' ' 91' ' ' PRO . 8.1 mp -43.46 -37.9 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' LYS . 13.9 t -117.64 28.61 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.846 ' O ' HG22 ' A' ' 2' ' ' VAL . 1.4 mtm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.496 0.189 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.846 HG22 ' O ' ' A' ' 1' ' ' MET . 3.7 m 54.43 161.37 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.424 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.96 176.14 10.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 3' ' ' PRO . 18.1 Cg_endo -75.05 -56.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' OE2' ' A' ' 84' ' ' GLU . 4.0 mtpt -38.99 -35.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -83.71 -64.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 7.7 tptt -42.75 -33.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -67.63 -49.25 63.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -55.82 -58.68 6.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 102' ' ' TYR . 36.6 mt -48.35 -58.06 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.29 -62.24 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.0 tp -46.71 -59.46 3.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 22.6 t80 -38.93 -63.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.24 -33.63 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.2 t -71.28 -22.15 62.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 12' ' ' LEU . 44.3 mt -79.29 159.86 71.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.484 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.1 Cg_endo -75.1 135.44 18.91 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -35.21 -68.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.364 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 12.6 pt-20 -36.03 -46.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD12 ' CG ' ' A' ' 17' ' ' PRO . 11.4 mt -70.75 -52.63 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -38.73 -50.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.486 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -52.37 -48.24 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.98 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -65.41 -39.86 92.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 28' ' ' TYR . 39.9 t -52.68 -63.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' HG ' ' CE1' ' A' ' 13' ' ' PHE . 71.6 mt -42.39 -41.5 2.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 22' ' ' SER . 3.8 mm? -65.07 -56.76 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.1 mt-10 -45.78 -52.43 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.507 ' CE1' HG13 ' A' ' 24' ' ' VAL . 3.4 m-30 -43.17 -57.83 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -51.22 -42.92 61.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -59.07 -25.77 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.87 39.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 28' ' ' TYR . 87.5 t -128.55 98.13 26.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.31 41.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.2 Cg_endo -74.99 155.69 42.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.04 153.84 41.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.1 Cg_endo -75.03 163.99 34.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.35 13.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.91 -39.58 2.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.577 HG21 ' HG2' ' A' ' 36' ' ' PRO . 60.0 t -57.41 122.38 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.456 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 15.6 tt0 -90.84 126.68 36.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.577 HD23 ' CB ' ' A' ' 54' ' ' HIS . 1.4 mp -117.41 144.46 44.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -104.87 133.85 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 50' ' ' PRO . 15.8 ttt180 -72.02 148.78 45.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 121' ' ' ALA . 43.2 t -95.91 90.65 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -56.31 -29.41 61.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -62.8 -17.65 61.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.3 t -109.37 131.48 55.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.428 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 1.2 mt-30 -58.31 -68.22 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -52.09 160.49 1.19 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 43' ' ' ARG . 18.2 Cg_endo -75.0 110.32 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 8.4 t80 -136.94 135.88 38.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -131.71 132.69 44.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.957 ' HB ' HD21 ' A' ' 126' ' ' LEU . 22.6 m -128.67 159.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.577 ' CB ' HD23 ' A' ' 41' ' ' LEU . 69.1 t60 -164.29 127.43 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.604 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.33 152.85 36.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -159.15 163.1 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 90.8 t -117.64 107.43 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -102.7 102.53 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.44 -79.16 1.94 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.29 23.67 0.45 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 3.1 mttt -129.0 176.62 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 89' ' ' GLU . 26.4 t -105.64 137.71 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 11.8 mmt-85 -118.11 102.72 9.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.742 ' CD2' HD13 ' A' ' 126' ' ' LEU . 7.7 mt -92.07 149.92 21.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 60.1 m-85 -152.95 119.91 5.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.717 ' CD2' HG12 ' A' ' 53' ' ' VAL . 78.0 m-85 -121.54 154.13 37.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -142.91 122.64 13.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.635 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 71' ' ' GLU . 45.2 t -128.22 111.23 19.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.94 -70.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -39.67 -30.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' A' ' 69' ' ' PRO . 0.4 OUTLIER 70.15 58.16 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.937 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -84.28 134.18 43.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.95 -29.01 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -87.37 -15.23 38.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.937 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 58.5 t -94.23 -42.39 12.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 3.8 tttt -71.63 -43.92 65.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -41.44 -66.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.945 ' CG ' HD13 ' A' ' 119' ' ' LEU . 8.8 t80 -50.47 -59.76 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . . . -41.66 -47.09 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 84' ' ' GLU . . . -65.4 -32.62 84.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -60.62 -33.46 72.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 86' ' ' LEU . 2.6 mm? -68.45 -51.02 48.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HG2' ' CB ' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -72.61 -12.61 61.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.622 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -66.14 -36.12 82.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.61 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -141.19 56.22 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 85' ' ' GLY . 63.6 mt -156.09 -48.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.467 ' CB ' ' HG2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -54.25 124.37 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.48 -10.66 74.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.96 ' O ' HG23 ' A' ' 62' ' ' VAL . 72.8 mm-40 -76.93 -174.08 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -92.62 161.84 31.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.011 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.895 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.04 -11.26 21.39 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -95.04 -37.08 11.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 96' ' ' GLU . . . -75.87 -13.8 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.466 HG21 HG11 ' A' ' 62' ' ' VAL . 6.1 t -90.17 -36.22 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.895 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.1 mm? -73.49 -37.89 65.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 11.9 pt-20 -57.87 -16.41 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.843 ' HA ' HG12 ' A' ' 2' ' ' VAL . 4.1 t -76.44 120.16 80.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 166.74 28.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.526 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -75.02 -0.0 9.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.94 36.1 2.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 7.8 p90 -64.41 -25.87 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.786 ' HB2' HD23 ' A' ' 107' ' ' LEU . 39.8 p90 -80.44 -9.79 59.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -52.51 146.45 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 53.25 76.54 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 11.7 m-85 -171.14 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 108' ' ' GLU . . . 163.29 -45.77 0.33 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.786 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -39.51 -30.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 116' ' ' LEU . 1.2 mt-10 -54.76 -59.77 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.249 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -32.62 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.404 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -57.58 -48.43 79.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 115' ' ' ARG . 83.4 m-85 -114.07 16.56 18.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.062 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.432 ' O ' HD12 ' A' ' 116' ' ' LEU . 3.0 p 54.16 166.71 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -9.54 20.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -88.06 -69.17 0.71 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -42.97 -26.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.666 HD13 ' HE1' ' A' ' 102' ' ' TYR . 48.7 mt -76.13 -55.73 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 116' ' ' LEU . 18.8 mtt180 -38.36 -42.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -76.51 -41.3 25.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.945 HD13 ' CG ' ' A' ' 78' ' ' PHE . 30.7 mt -61.58 -48.04 82.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 119' ' ' LEU . 53.3 mt-10 -38.2 -47.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 46' ' ' GLU . . . -44.35 -48.89 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.464 ' HB2' ' HE2' ' A' ' 51' ' ' PHE . . . -40.32 -65.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.56 HD22 ' HG3' ' A' ' 127' ' ' GLN . 0.7 OUTLIER -55.67 -61.77 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 99' ' ' PRO . 31.7 mt -38.91 -43.96 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 128' ' ' ALA . 8.5 mtp85 -65.86 -62.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.957 HD21 ' HB ' ' A' ' 53' ' ' VAL . 49.2 mt -42.34 -55.86 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.674 ' HB3' HD13 ' A' ' 95' ' ' LEU . 23.2 mt-30 -45.53 -37.54 5.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -72.77 -39.93 66.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.462 ' OE1' ' ND1' ' A' ' 54' ' ' HIS . 32.5 mt-30 -63.85 -31.46 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.52 ' HB ' HD21 ' A' ' 95' ' ' LEU . 60.7 t -78.3 -58.72 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.755 ' HG3' HD11 ' A' ' 95' ' ' LEU . 6.2 mtt180 -41.18 -36.72 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.871 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -63.12 -46.52 86.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -52.06 -48.68 64.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 91' ' ' PRO . 8.3 mp -43.75 -41.3 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.871 HG22 ' O ' ' A' ' 132' ' ' LYS . 14.8 t -89.6 -27.02 20.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 132' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.497 0.189 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.718 ' CG1' HD23 ' A' ' 6' ' ' LEU . 44.9 t 61.93 141.78 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.01 173.13 15.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -74.98 -55.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HE2' ' N ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -38.44 -37.12 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.718 HD23 ' CG1' ' A' ' 2' ' ' VAL . 11.1 tp -86.61 -61.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -41.57 -33.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -49.63 71.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -63.54 -65.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.644 HD11 ' HD1' ' A' ' 101' ' ' PHE . 60.9 mt -40.63 -53.69 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.39 -65.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' LEU . 15.9 tp -41.68 -48.26 4.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -55.06 -61.46 2.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -51.46 -30.66 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 t -78.94 -36.97 40.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' LEU . 21.8 mt -60.53 154.86 52.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.03 137.43 21.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 17' ' ' PRO . 4.6 ttmm -34.38 -69.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -34.09 -55.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ARG . 14.8 mt -63.54 -54.55 34.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' LEU . 8.1 mtt180 -35.08 -38.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 23' ' ' GLN . 26.4 p -65.33 -64.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' N ' ' OG ' ' A' ' 22' ' ' SER . 2.1 mm100 -47.22 -32.25 4.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 20' ' ' LEU . 93.7 t -62.32 -66.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 mt -40.34 -36.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.1 mt -70.19 -53.34 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -50.34 -44.64 54.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 4.2 m-30 -52.84 -62.01 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -55.4 -32.37 62.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -65.33 -32.57 74.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -81.66 -32.66 31.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' TYR . 55.0 t -46.64 104.44 0.41 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 157.0 42.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -74.96 155.53 43.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.5 Cg_endo -74.96 150.38 38.27 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 111.035 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.617 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 153.46 41.82 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.78 5.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.538 1.809 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.16 -20.73 9.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.617 HG21 ' HG2' ' A' ' 36' ' ' PRO . 40.1 t -79.22 123.87 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -89.31 125.82 35.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 65' ' ' TYR . 2.1 mp -111.2 147.26 35.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.56 130.6 52.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.86 147.17 53.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 51' ' ' PHE . 21.6 t -107.15 91.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -54.12 -33.44 57.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.611 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.99 -29.98 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.1 t -97.27 134.46 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.25 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -52.7 -47.54 67.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.4 p -77.4 159.51 77.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 75.26 3.75 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' VAL . 23.6 t80 -89.31 124.59 34.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -111.69 127.51 55.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.565 HG12 ' HD1' ' A' ' 66' ' ' PHE . 15.6 m -124.74 162.22 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -161.91 116.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.595 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -111.53 132.93 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 5.1 m-20 -143.63 167.54 22.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.41 111.21 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -105.87 102.42 11.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.234 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.73 -75.14 2.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.64 22.5 0.41 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -134.48 154.53 51.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -96.82 126.03 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.467 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -96.32 107.11 19.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 83' ' ' ARG . 27.8 mt -82.49 136.39 34.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.557 ' HB3' HD21 ' A' ' 41' ' ' LEU . 55.9 m-85 -136.41 139.67 42.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.565 ' HD1' HG12 ' A' ' 53' ' ' VAL . 71.2 m-85 -147.86 142.33 26.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -130.53 112.17 12.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.6 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.41 112.65 37.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -65.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.85 ' OD2' ' HB2' ' A' ' 72' ' ' ALA . 9.4 p-10 -50.06 -25.02 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 64.44 52.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HB2' ' OD2' ' A' ' 70' ' ' ASP . . . -77.1 133.35 69.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.65 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.1 Cg_endo -75.06 -6.43 18.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.73 -32.2 12.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' HA ' HD21 ' A' ' 119' ' ' LEU . 78.8 t -88.12 -43.46 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.667 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 8.1 tttt -66.35 -46.52 76.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -41.94 -58.68 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 119' ' ' LEU . 2.5 t80 -51.33 -53.73 33.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.444 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -45.43 -39.1 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.16 -35.8 47.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.744 ' O ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -68.83 -29.09 67.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.36 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 86.9 mt -70.1 -59.91 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.745 ' HA ' HD12 ' A' ' 64' ' ' LEU . 2.2 ptt85 -60.16 -33.5 72.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.576 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 2.8 mm-40 -36.69 -55.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.683 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -127.07 51.23 0.86 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 85' ' ' GLY . 57.6 mt -156.02 -45.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 83' ' ' ARG . 4.6 tt0 -65.19 118.59 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.05 -25.34 28.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 62' ' ' VAL . 74.6 mm-40 -71.81 174.61 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.992 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.6 m -78.54 159.28 74.85 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.969 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.02 -6.65 18.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.15 -35.5 18.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 96' ' ' GLU . . . -81.85 -26.03 34.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.992 HG13 ' O ' ' A' ' 90' ' ' SER . 4.4 m -75.93 -43.75 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.969 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.2 mm? -62.02 -38.35 88.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 1.8 pt-20 -58.06 -18.66 26.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 86' ' ' LEU . 38.7 t -72.03 116.12 45.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.528 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.98 174.3 13.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.455 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.4 Cg_endo -75.0 -2.41 12.51 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.81 55.07 0.6 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.653 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 8.1 p90 -75.84 -33.92 60.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 101' ' ' PHE . 48.6 p90 -69.5 -28.08 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -42.71 128.03 4.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 73.6 77.34 0.62 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 3.5 m-85 -175.69 -47.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 0.739 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 154.46 -39.09 0.66 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.502 HD13 HD21 ' A' ' 81' ' ' LEU . 10.6 mt -49.09 -56.03 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -40.17 -40.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -77.94 -57.87 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.72 -66.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -81.89 141.87 32.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 112' ' ' THR . 40.1 p -60.99 156.24 49.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -19.0 18.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.62 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 118' ' ' GLY . 8.1 mtm-85 -62.71 -43.12 99.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.43 HD22 ' CZ ' ' A' ' 102' ' ' TYR . 6.4 mt -43.48 -47.32 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -53.16 -39.42 63.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -74.5 -39.37 42.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 38.1 mt -62.21 -58.01 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 123' ' ' LEU . 12.8 mt-10 -43.3 -50.52 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -34.14 -46.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.597 ' C ' HD12 ' A' ' 126' ' ' LEU . . . -42.23 -53.93 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.528 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 15.2 tp -60.06 -45.29 93.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.5 mm? -56.0 -51.71 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 18.3 mtp85 -64.02 -59.88 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.597 HD12 ' C ' ' A' ' 122' ' ' ALA . 4.7 mt -44.66 -54.05 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 95' ' ' LEU . 57.2 mt-30 -53.85 -33.94 57.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -72.63 -28.09 62.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.612 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 95.4 mt-30 -80.81 -23.58 39.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 126' ' ' LEU . 61.5 t -82.65 -62.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.783 ' HG3' HD11 ' A' ' 95' ' ' LEU . 2.5 mtt180 -38.4 -38.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 133' ' ' ALA . 2.4 pttt -71.01 -50.32 35.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 132' ' ' LYS . . . -51.8 -39.01 57.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 91' ' ' PRO . 14.7 mt -54.02 -42.01 68.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.2 t -107.23 19.15 20.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 132' ' ' LYS . 54.8 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HG2' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.497 0.189 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.517 ' CG1' HD23 ' A' ' 6' ' ' LEU . 12.4 t -119.72 140.93 30.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.99 168.69 24.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.98 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -39.84 -46.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.591 HD11 HD21 ' A' ' 81' ' ' LEU . 14.8 tp -78.58 -58.26 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -41.4 -33.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -48.21 66.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -64.02 -51.41 64.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.675 HD13 ' CE2' ' A' ' 105' ' ' TYR . 40.7 mt -54.07 -62.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -51.39 -48.97 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -53.53 -68.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.906 ' N ' HD13 ' A' ' 12' ' ' LEU . 36.4 t80 -40.33 -61.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -46.13 -33.39 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' LEU . 5.7 t -77.74 -38.54 46.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.551 HD13 HG21 ' A' ' 24' ' ' VAL . 16.4 mt -55.2 154.51 10.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.516 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.3 Cg_endo -74.99 134.53 17.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 17' ' ' PRO . 9.0 tttm -35.36 -68.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.5 pt-20 -35.03 -48.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.516 HD12 ' CG ' ' A' ' 17' ' ' PRO . 15.4 mt -69.49 -51.92 31.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.6 mtm180 -43.46 -35.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.38 -51.52 69.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -69.89 -34.42 73.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG21 HD13 ' A' ' 16' ' ' LEU . 67.7 t -55.63 -69.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' HG ' ' CZ ' ' A' ' 13' ' ' PHE . 82.7 mt -41.79 -40.91 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.55 -52.84 62.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.9 mt-10 -49.91 -57.77 6.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.575 ' HA ' ' HZ3' ' A' ' 31' ' ' LYS . 3.0 m-85 -35.2 -57.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -51.06 -45.5 61.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -62.41 -25.99 68.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.575 ' HZ3' ' HA ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -79.59 -33.53 41.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.59 HG22 ' HA2' ' A' ' 80' ' ' GLY . 79.2 t -52.23 107.24 0.79 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.03 161.46 38.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.1 Cg_endo -75.02 153.49 41.7 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.2 Cg_endo -74.98 142.45 27.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.607 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 163.36 35.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.28 18.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.81 -25.03 27.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.607 HG21 ' HG2' ' A' ' 36' ' ' PRO . 54.5 t -68.72 130.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.7 116.34 32.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.69 145.01 32.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -108.1 136.24 48.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.91 146.31 54.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.741 HG22 ' CD ' ' A' ' 125' ' ' ARG . 70.5 t -103.03 91.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -43.59 68.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.605 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.535 ' CD ' ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -43.64 -30.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.8 t -98.72 131.15 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.294 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -53.61 -46.7 70.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.0 p -72.93 157.59 88.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 67.02 5.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' VAL . 13.5 t80 -88.29 119.5 28.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -100.35 167.02 10.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.893 HG23 ' CD2' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -160.43 170.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 39' ' ' VAL . 61.0 t60 -165.39 157.29 14.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -147.29 130.8 16.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 79.8 m-20 -148.71 161.33 41.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.449 HG23 ' CB ' ' A' ' 133' ' ' ALA . 94.6 t -121.1 105.81 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -97.61 102.51 14.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.95 -78.26 1.71 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.84 20.46 0.78 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 20.2 mttt -132.07 150.78 52.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -92.43 121.42 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 7.5 mmt180 -93.49 103.07 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 86' ' ' LEU . 59.6 mt -86.43 146.29 26.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 69.0 m-85 -147.94 151.18 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.893 ' CD2' HG23 ' A' ' 53' ' ' VAL . 67.7 m-85 -152.85 150.48 29.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -135.33 112.38 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.581 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.645 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.2 t -113.1 110.62 51.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -75.01 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.57 -27.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' PRO . 3.0 mt-10 70.66 35.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.04 131.29 95.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.634 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -74.97 -6.08 17.62 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.9 p -95.74 -41.97 8.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.87 -41.88 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.645 ' HG3' HG21 ' A' ' 68' ' ' VAL . 2.7 tttt -67.18 -42.15 84.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.76 -66.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.751 ' CD2' HD22 ' A' ' 119' ' ' LEU . 1.2 t80 -50.9 -53.39 33.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.33 -33.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.59 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -79.0 -44.01 10.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.053 HD22 ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -62.02 -29.63 70.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.735 ' N ' HD13 ' A' ' 81' ' ' LEU . 78.3 mt -66.77 -66.36 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 33' ' ' PRO . 5.8 ptt85 -60.54 -19.94 58.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 4.8 mm-40 -54.18 -57.9 9.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.618 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -120.69 52.07 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 85' ' ' GLY . 64.9 mt -155.5 -46.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.26 117.99 6.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.44 -18.84 54.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.659 ' O ' HG13 ' A' ' 62' ' ' VAL . 25.3 mm-40 -72.23 -171.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.637 ' O ' HG23 ' A' ' 94' ' ' VAL . 6.3 p -95.13 157.87 35.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 130' ' ' VAL . 18.4 Cg_endo -74.94 -18.92 18.48 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.478 1.778 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.43 -36.25 63.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.639 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -83.97 -36.62 23.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 62' ' ' VAL . 58.8 t -66.64 -18.39 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 127' ' ' GLN . 9.1 mt -93.95 -39.65 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.62 -10.57 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 93' ' ' ALA . 28.3 t -77.71 127.98 80.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.06 168.46 24.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -4.53 15.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -136.99 55.18 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 6.6 p90 -80.56 -14.72 57.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.789 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.902 ' CE1' HD22 ' A' ' 116' ' ' LEU . 52.6 p90 -88.93 -16.04 32.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -53.09 127.21 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.82 76.89 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.675 ' CE2' HD13 ' A' ' 10' ' ' LEU . 6.1 m-85 -167.36 -49.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.781 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.84 -53.05 0.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.57 -47.45 63.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.05 -34.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.32 -60.04 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -41.41 -68.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -69.12 143.37 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.9 p -64.82 161.26 47.62 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -7.3 19.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -88.93 -65.33 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 118' ' ' GLY . 16.8 mtt180 -52.41 -40.69 62.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.902 HD22 ' CE1' ' A' ' 102' ' ' TYR . 9.0 mt -44.62 -41.72 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -52.93 -42.37 65.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -69.02 -28.49 72.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.751 HD22 ' CD2' ' A' ' 78' ' ' PHE . 33.4 mt -66.32 -53.24 38.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 0.802 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.88 -46.92 64.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.678 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -46.27 -35.2 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.859 ' O ' HD22 ' A' ' 126' ' ' LEU . . . -56.76 -73.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.612 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.6 tm? -42.26 -53.23 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 121' ' ' ALA . 10.5 mt -42.8 -54.36 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.741 ' CD ' HG22 ' A' ' 44' ' ' VAL . 18.6 mtt-85 -50.82 -71.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -38.18 -63.88 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.658 ' O ' HD21 ' A' ' 95' ' ' LEU . 31.6 mt-30 -39.98 -42.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -68.16 -43.13 78.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.694 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 91.9 mt-30 -66.72 -56.04 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.573 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 97.2 t -43.29 -48.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.86 ' O ' HG22 ' A' ' 135' ' ' THR . 10.7 mtt-85 -41.62 -48.57 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -64.66 -39.05 93.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -68.16 -30.59 69.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.832 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -83.28 -50.48 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.86 HG22 ' O ' ' A' ' 131' ' ' ARG . 13.0 t -86.82 20.96 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 132' ' ' LYS . 12.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.466 0.174 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.579 HG13 HD12 ' A' ' 6' ' ' LEU . 21.7 t 64.85 141.29 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.03 176.21 10.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' GLN . 18.2 Cg_endo -74.99 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' O ' ' OE2' ' A' ' 84' ' ' GLU . 2.8 mttt -50.55 -42.05 54.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.579 HD12 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -75.74 -62.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -29.14 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' PRO . 16.8 mt-30 -65.82 -50.86 63.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.755 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -57.34 -53.11 61.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 105' ' ' TYR . 53.2 mt -50.61 -70.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -48.33 -49.11 35.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' LEU . 41.4 tp -55.17 -47.23 75.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 1.5 t80 -51.96 -61.99 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -60.02 -15.71 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -94.12 -17.98 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' LEU . 34.0 mt -81.06 158.37 70.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.594 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -74.98 136.23 20.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.0 OUTLIER -36.04 -69.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 11.2 pt-20 -35.96 -44.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.594 HD12 ' CG ' ' A' ' 17' ' ' PRO . 14.4 mt -74.18 -49.15 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' LYS . 31.1 mtt180 -38.23 -30.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.4 t -66.28 -52.54 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' LEU . 6.0 pt20 -61.92 -37.74 85.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 28' ' ' TYR . 70.1 t -45.44 -46.81 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.744 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 86.0 mt -63.55 -48.33 77.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -57.48 -56.21 24.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 28' ' ' TYR . 2.1 mt-10 -41.97 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.666 ' O ' HG23 ' A' ' 32' ' ' VAL . 11.1 m-85 -35.65 -62.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.14 -57.57 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.77 -27.95 8.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -92.23 36.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 28' ' ' TYR . 39.9 t -138.07 92.19 12.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.54 41.99 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.569 1.826 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.61 41.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 160.68 39.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.929 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.01 170.35 20.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.19 20.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.37 55.42 0.76 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.929 HG11 ' HD2' ' A' ' 36' ' ' PRO . 3.4 p -161.06 150.47 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -126.27 112.61 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -80.92 168.11 19.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.377 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 125' ' ' ARG . 29.5 tt0 -115.71 100.54 8.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' NH1' ' CE1' ' A' ' 45' ' ' HIS . 8.3 ttp85 -49.35 127.55 15.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.763 HG22 ' HD3' ' A' ' 125' ' ' ARG . 59.8 t -90.03 100.8 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.429 ' CE1' ' NH1' ' A' ' 43' ' ' ARG . 14.6 m-70 -62.5 -37.25 85.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -37.96 17.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.64 114.39 26.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -39.52 -57.38 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -59.36 155.11 38.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 70.68 5.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -91.75 105.4 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.517 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 5.2 m-85 -96.2 140.68 30.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.82 ' HB ' HD21 ' A' ' 126' ' ' LEU . 17.2 m -136.13 160.81 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.502 ' HB3' ' CB ' ' A' ' 65' ' ' TYR . 69.8 t60 -158.2 128.26 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' ARG . . . -127.31 128.05 45.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -130.16 176.0 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 79.3 t -132.94 100.36 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -96.66 101.66 13.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.54 -89.57 1.54 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.59 7.33 3.05 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 9.1 ptpt -111.77 174.25 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.678 HG21 HG21 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -109.87 125.17 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -87.18 122.46 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.789 HD13 ' HA ' ' A' ' 87' ' ' GLU . 4.7 mp -97.27 130.79 44.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.502 ' CB ' ' HB3' ' A' ' 54' ' ' HIS . 22.4 m-85 -142.42 119.89 11.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.704 ' HD1' HG12 ' A' ' 53' ' ' VAL . 62.4 m-85 -124.53 126.3 45.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.542 ' N ' HD12 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -110.76 123.53 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.1 t -133.95 112.82 12.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -63.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -33.22 72.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.04 67.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -86.18 132.68 42.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.4 Cg_endo -74.95 -5.65 17.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.39 -39.87 9.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.1 t -81.5 -42.57 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 32' ' ' VAL . 19.0 tttt -63.74 -38.11 89.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -41.33 -68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -45.92 -52.07 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -43.9 -47.44 8.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.524 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -66.75 -44.66 88.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.586 ' O ' HD12 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -59.03 -24.09 62.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.69 ' O ' HD12 ' A' ' 86' ' ' LEU . 42.3 mt -82.5 -45.76 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.501 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 4.5 ttt180 -74.09 -20.64 60.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.755 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -58.0 -38.46 76.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.488 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -133.2 55.66 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 82' ' ' LEU . 93.2 mt -156.39 -43.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.789 ' HA ' HD13 ' A' ' 64' ' ' LEU . 7.4 tp10 -46.5 115.73 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 89' ' ' GLU . . . 95.01 -27.91 13.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.646 ' O ' HG13 ' A' ' 62' ' ' VAL . 6.6 mm-40 -49.51 -177.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.508 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 2.0 p -100.76 161.52 23.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.881 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.06 -7.56 19.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.95 -38.47 16.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.846 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -84.75 -36.72 21.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.678 HG21 HG21 ' A' ' 62' ' ' VAL . 54.6 t -68.05 -17.18 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 91' ' ' PRO . 8.4 mt -94.1 -43.76 8.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -58.45 -18.01 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 93' ' ' ALA . 74.4 t -60.94 121.88 65.16 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 160.81 39.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.799 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -74.97 -2.13 12.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -125.58 33.55 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.63 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 22.2 p90 -65.01 -15.27 62.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.904 ' CZ ' HD12 ' A' ' 116' ' ' LEU . 38.3 p90 -96.81 -26.81 14.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.92 126.16 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 72.16 77.65 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 6.5 m-85 -171.74 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 109' ' ' GLU . . . 153.27 -36.39 0.76 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.769 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -39.31 -61.0 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -50.67 -39.93 52.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 106' ' ' GLY . 1.6 tt0 -57.02 -36.61 70.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -90.98 -45.17 8.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.901 ' HB2' HD21 ' A' ' 116' ' ' LEU . 62.7 m-85 -95.89 123.3 39.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.716 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -50.58 155.58 1.82 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 112' ' ' THR . 18.2 Cg_endo -74.97 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.97 -43.98 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -68.43 -38.5 81.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.904 HD12 ' CZ ' ' A' ' 102' ' ' TYR . 3.7 mm? -55.11 -50.01 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' LEU . 14.9 mtt180 -38.04 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' LEU . . . -91.71 -56.05 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.627 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 2.0 mp -38.85 -43.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.612 ' O ' HD22 ' A' ' 124' ' ' LEU . 36.4 mt-10 -55.52 -56.22 22.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -38.67 -35.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -52.28 -56.47 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.504 HD21 HG12 ' A' ' 97' ' ' VAL . 13.7 tp -59.84 -61.18 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 99' ' ' PRO . 1.4 mm? -45.47 -51.35 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.763 ' HD3' HG22 ' A' ' 44' ' ' VAL . 26.8 mtt-85 -53.87 -64.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.82 HD21 ' HB ' ' A' ' 53' ' ' VAL . 5.5 mt -48.41 -49.61 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.695 ' O ' HD21 ' A' ' 95' ' ' LEU . 78.5 mt-30 -55.82 -28.35 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.83 -25.49 35.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -77.77 -36.58 50.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 133' ' ' ALA . 99.3 t -65.63 -45.41 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -47.59 -25.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.722 ' O ' HG22 ' A' ' 135' ' ' THR . 19.8 mmmt -81.84 -37.17 27.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -66.67 -36.29 82.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.32 -45.08 80.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 132' ' ' LYS . 13.0 t -76.61 -0.3 22.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.527 0.203 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 39.1 t -47.72 141.35 7.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.98 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.94 -56.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' PRO . 11.3 mmmt -38.2 -32.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD11 ' CE2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -88.42 -62.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -43.23 -31.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -44.6 60.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -64.53 -58.72 5.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.733 HD11 ' HD2' ' A' ' 101' ' ' PHE . 46.2 mt -47.55 -56.27 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -58.7 -64.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' LEU . 44.0 tp -44.08 -55.61 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -48.05 -63.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -49.42 -25.7 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -37.91 21.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' LEU . 26.2 mt -51.43 156.6 2.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.632 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.03 134.26 17.54 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.2 ptmt -34.1 -67.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -35.4 -53.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.632 HD12 ' CG ' ' A' ' 17' ' ' PRO . 36.6 mt -65.86 -43.5 88.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 1.2 mtm105 -49.2 -21.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.502 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -85.21 -31.58 23.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.514 ' CG ' ' N ' ' A' ' 24' ' ' VAL . 1.2 pt20 -79.09 -48.44 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.514 ' N ' ' CG ' ' A' ' 23' ' ' GLN . 4.0 p -49.17 -54.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' N ' HG13 ' A' ' 24' ' ' VAL . 85.1 mt -45.99 -37.36 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 22' ' ' SER . 4.2 mm? -76.81 -48.06 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.705 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 3.6 mt-10 -48.54 -59.62 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 84' ' ' GLU . 7.6 m-30 -38.69 -65.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -50.48 -32.05 17.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -66.77 -36.02 81.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.497 ' NZ ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -76.57 -36.93 57.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' LYS . 55.1 t -39.58 99.05 0.19 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 156.18 43.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.42 41.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.09 42.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.82 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.901 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.98 167.41 27.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.46 4.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . 125.84 -59.15 0.66 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.901 HG11 ' HD2' ' A' ' 36' ' ' PRO . 6.6 p -39.18 136.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.78 120.57 42.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -92.79 144.36 25.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -106.58 121.96 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' CD ' ' HA ' ' A' ' 50' ' ' PRO . 18.8 ttp85 -62.04 138.35 58.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' PHE . 46.8 t -96.41 91.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.419 ' CE1' ' NH1' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -50.91 -42.24 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.628 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -42.51 -33.26 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.25 133.8 41.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.04 -41.61 75.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.5 p -76.6 156.25 83.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.394 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.1 Cg_endo -75.08 74.48 4.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.557 1.819 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -88.09 116.97 26.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 8.9 m-85 -107.2 151.5 25.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.666 HG23 ' CD1' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -159.96 171.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.535 ' CD2' HG23 ' A' ' 39' ' ' VAL . 82.3 t60 -165.4 123.8 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.663 ' HB1' HG22 ' A' ' 130' ' ' VAL . . . -109.99 139.96 44.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -149.21 172.2 15.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.458 HG23 ' CB ' ' A' ' 133' ' ' ALA . 72.7 t -125.35 111.65 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.94 124.63 26.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.96 35.81 90.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.62 6.67 51.14 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 11.5 mtpt -107.62 177.71 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 89' ' ' GLU . 21.5 t -111.25 115.87 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -82.92 105.42 13.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.955 HD13 ' HA ' ' A' ' 87' ' ' GLU . 5.8 mp -92.48 136.05 33.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 58.4 m-85 -139.77 119.7 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.666 ' CD1' HG23 ' A' ' 53' ' ' VAL . 74.3 m-85 -123.81 149.77 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -149.59 115.85 5.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.632 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.599 HG12 ' H ' ' A' ' 71' ' ' GLU . 96.8 t -120.68 116.98 31.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.05 -67.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -26.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.599 ' H ' HG12 ' A' ' 68' ' ' VAL . 3.9 mt-10 70.6 31.57 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.93 129.85 85.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.724 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.05 -6.09 17.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.5 p -96.61 -39.31 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 ' CE2' ' A' ' 51' ' ' PHE . 38.2 t -80.15 -39.84 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.559 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 6.9 tttt -71.21 -48.83 49.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -40.87 -63.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CD2' ' HG ' ' A' ' 119' ' ' LEU . 8.7 t80 -51.36 -52.07 48.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.41 -42.1 6.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.08 -28.46 71.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.679 ' C ' HD13 ' A' ' 81' ' ' LEU . 1.3 tm? -66.51 -41.24 89.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.679 ' HB3' HD12 ' A' ' 86' ' ' LEU . 2.9 mm? -59.8 -53.66 55.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.56 -16.66 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 28' ' ' TYR . 4.0 mm-40 -73.81 -22.76 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.685 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -145.53 41.53 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 85' ' ' GLY . 54.5 mt -154.87 -45.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.955 ' HA ' HD13 ' A' ' 64' ' ' LEU . 6.9 tt0 -52.85 116.28 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.55 3.39 71.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.964 ' O ' HG23 ' A' ' 62' ' ' VAL . 76.2 mm-40 -87.8 178.06 6.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.425 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 2.0 p -89.31 160.21 42.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.949 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 1.035 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -7.99 19.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.25 -35.95 12.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.97 -32.89 59.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.612 HG22 HD22 ' A' ' 86' ' ' LEU . 14.2 t -70.21 -42.95 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.035 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.3 mm? -61.82 -29.03 69.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.34 -42.28 96.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.753 ' O ' HD21 ' A' ' 123' ' ' LEU . 20.1 t -52.69 107.35 0.82 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.507 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.97 171.92 17.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.451 1.763 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.9 10.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -127.79 32.43 3.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.733 ' HD2' HD11 ' A' ' 10' ' ' LEU . 14.1 p90 -75.86 -14.28 60.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE2' ' CD ' ' A' ' 120' ' ' GLU . 39.8 p90 -89.77 -31.45 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -45.15 130.75 7.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.55 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 70.31 77.52 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.641 ' CE2' HD13 ' A' ' 10' ' ' LEU . 4.1 m-85 -174.78 -47.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.38 -39.68 0.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.674 HD23 ' HE2' ' A' ' 111' ' ' PHE . 1.4 mt -49.47 -36.27 22.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.484 ' HA ' HD11 ' A' ' 116' ' ' LEU . 1.5 tm-20 -52.32 -61.24 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.78 -59.92 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -40.37 -71.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.674 ' HE2' HD23 ' A' ' 107' ' ' LEU . 78.6 m-85 -80.72 120.69 24.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.8 p -51.03 163.84 0.48 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.441 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.69 17.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.46 -51.9 5.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -32.88 70.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 108' ' ' GLU . 13.7 mt -52.13 -48.25 64.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -39.85 -58.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -58.18 -48.56 82.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.578 ' HG ' ' CD2' ' A' ' 78' ' ' PHE . 1.5 mp -46.98 -48.08 21.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.433 ' CD ' ' CE2' ' A' ' 102' ' ' TYR . 31.1 mm-40 -59.64 -46.35 89.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.916 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -41.01 -50.18 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.947 ' O ' HD22 ' A' ' 126' ' ' LEU . . . -41.51 -71.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.753 HD21 ' O ' ' A' ' 97' ' ' VAL . 62.2 tp -40.92 -50.38 3.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 121' ' ' ALA . 7.8 mt -53.11 -44.36 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.537 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 10.8 mmp_? -60.44 -69.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.947 HD22 ' O ' ' A' ' 122' ' ' ALA . 0.6 OUTLIER -39.56 -64.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.552 ' HB3' HD13 ' A' ' 95' ' ' LEU . 50.2 mt-30 -41.65 -43.27 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -61.13 -43.41 98.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.568 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 7.9 mt-30 -74.64 -60.35 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.663 HG22 ' HB1' ' A' ' 55' ' ' ALA . 59.2 t -38.52 -49.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.664 ' HG3' HD11 ' A' ' 95' ' ' LEU . 8.8 mtp180 -46.05 -61.5 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -49.66 -37.22 27.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -66.69 -32.67 74.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.792 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -82.49 -46.97 12.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.478 ' N ' HD12 ' A' ' 134' ' ' LEU . 1.9 p -79.65 48.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.915 ' O ' HG22 ' A' ' 2' ' ' VAL . 30.8 mtp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.491 0.186 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 1' ' ' MET . 2.6 m 56.5 160.05 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 173.75 13.95 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.06 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -38.66 -31.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' PRO . 18.2 tp -88.58 -67.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 11.1 tptt -39.43 -32.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -76.39 -56.78 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.56 -46.35 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.621 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 32.7 mt -66.14 -64.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -41.34 -39.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' LEU . 55.1 tp -70.35 -43.54 69.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' LEU . 62.9 t80 -51.02 -47.49 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -62.24 -43.9 97.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 t -68.18 -30.69 69.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' LEU . 14.8 mt -58.77 151.98 50.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.0 139.24 24.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' ARG . 49.6 tttt -34.95 -68.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -34.16 -54.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.865 ' O ' HG12 ' A' ' 24' ' ' VAL . 13.6 mt -65.64 -44.89 85.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 11.9 mtt180 -48.22 -22.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -87.15 -32.5 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.028 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.5 mm100 -76.91 -48.83 17.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.865 HG12 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -44.03 -58.63 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.745 HD22 ' CZ ' ' A' ' 111' ' ' PHE . 77.5 mt -42.57 -44.11 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.43 -49.26 56.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.8 mt-10 -45.71 -55.23 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.751 ' O ' HG23 ' A' ' 32' ' ' VAL . 14.5 m-85 -41.16 -53.7 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.83 -38.15 64.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -68.7 -26.08 65.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.3 43.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 28' ' ' TYR . 75.8 t -133.94 97.79 15.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.04 166.22 29.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.4 Cg_endo -75.01 154.91 42.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.2 Cg_endo -74.96 160.46 40.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.886 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -75.0 162.78 36.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 3.05 5.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.09 66.12 0.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.886 HG11 ' HD2' ' A' ' 36' ' ' PRO . 10.7 p -157.99 134.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.55 115.99 31.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.22 146.71 24.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -105.31 142.51 34.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.456 ' NH2' ' O ' ' A' ' 47' ' ' CYS . 1.9 tpt180 -76.62 128.64 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.658 HG22 ' HD3' ' A' ' 125' ' ' ARG . 63.7 t -95.76 88.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.43 ' HA ' ' NH2' ' A' ' 43' ' ' ARG . 25.4 m-70 -55.18 -36.1 65.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.541 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -42.4 63.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.56 ' H ' HG12 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -77.95 114.39 16.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.334 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -39.14 -44.58 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.3 p -81.66 159.74 65.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 77.02 3.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -89.25 142.18 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -131.7 134.67 46.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.659 ' CG2' HD21 ' A' ' 126' ' ' LEU . 2.9 p -146.7 161.62 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.577 ' CD2' HG23 ' A' ' 39' ' ' VAL . 86.6 t60 -145.68 131.29 18.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -118.31 134.32 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 63' ' ' ARG . 23.5 m-20 -164.48 166.75 20.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.828 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -136.0 127.79 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.33 101.79 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.13 -82.22 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.79 20.54 0.69 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 23.9 mttt -137.06 150.35 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.876 HG21 HG21 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -97.57 126.59 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.539 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -94.32 114.88 27.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 86' ' ' LEU . 16.7 mt -97.51 141.49 30.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 87.7 m-85 -142.81 128.87 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.477 ' CD1' HG23 ' A' ' 53' ' ' VAL . 85.3 m-85 -125.1 159.31 31.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -155.0 120.51 5.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.608 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.506 HG12 ' H ' ' A' ' 71' ' ' GLU . 41.0 t -126.72 114.65 22.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.99 -66.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.768 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -46.76 -26.56 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.506 ' H ' HG12 ' A' ' 68' ' ' VAL . 3.0 mt-10 67.56 53.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -78.7 133.26 62.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.679 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -75.0 -22.81 14.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.534 1.807 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 p -86.01 -25.58 25.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 99.3 t -88.27 -48.44 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 14.2 tttt -63.31 -44.61 94.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.7 -60.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.666 ' CE2' HD11 ' A' ' 82' ' ' LEU . 15.2 t80 -52.49 -51.29 60.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 76' ' ' LYS . . . -44.07 -52.18 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.555 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -63.86 -30.6 78.18 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.573 ' HB2' ' CD2' ' A' ' 28' ' ' TYR . 1.5 tp -76.39 -27.62 56.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' CE2' ' A' ' 78' ' ' PHE . 97.2 mt -74.46 -48.1 29.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.674 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -74.67 -18.57 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.584 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 3.2 mm-40 -55.91 -40.66 73.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.517 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -130.17 49.04 0.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 82' ' ' LEU . 79.0 mt -154.62 -44.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 113.33 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.94 28.1 32.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.852 ' O ' HG13 ' A' ' 62' ' ' VAL . 77.6 mm-40 -104.94 -173.91 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.466 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 11.2 p -94.02 158.01 36.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.539 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -10.18 21.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.76 -35.96 12.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -76.93 -35.55 57.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.876 HG21 HG21 ' A' ' 62' ' ' VAL . 40.9 t -72.05 -17.17 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 91' ' ' PRO . 11.1 mt -94.49 -28.59 15.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.57 -6.16 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.89 ' HA ' HG12 ' A' ' 2' ' ' VAL . 3.3 t -83.07 117.28 68.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 174.76 12.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.94 14.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.02 54.09 0.71 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 3.4 p90 -83.0 -8.67 59.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.976 ' HB2' HD13 ' A' ' 107' ' ' LEU . 42.2 p90 -103.66 -45.24 4.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.528 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 67.2 mtp180 -35.38 121.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' TYR . . . 129.8 -73.49 0.46 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 37.8 m-85 -36.91 -64.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 0.731 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.83 62.76 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.976 HD13 ' HB2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -101.18 -26.51 13.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.02 -43.11 99.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -44.97 -30.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.702 ' CD2' HD11 ' A' ' 25' ' ' LEU . 53.9 m-85 -99.78 -49.58 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.745 ' CZ ' HD22 ' A' ' 25' ' ' LEU . 27.6 m-85 -91.77 118.04 30.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 p -46.85 158.41 0.42 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -8.9 20.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 114' ' ' LEU . 1.6 mm? -91.61 -60.99 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -51.98 -37.22 52.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' ARG . 6.0 mt -47.56 -52.19 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -38.73 -45.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -67.47 -55.69 14.31 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 90.4 mt -42.41 -61.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 123' ' ' LEU . 36.1 mt-10 -46.65 -59.17 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 120' ' ' GLU . . . -34.68 -47.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -42.76 -54.26 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' GLU . 6.5 tp -60.73 -48.86 79.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 124' ' ' LEU . 2.1 mm? -51.75 -46.01 63.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.658 ' HD3' HG22 ' A' ' 44' ' ' VAL . 8.8 mtt85 -63.48 -57.63 9.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 130' ' ' VAL . 4.7 mt -49.18 -44.82 43.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 21.0 mt-30 -64.87 -25.43 67.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.8 -20.32 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 29.6 mt-30 -92.0 -34.19 14.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 126' ' ' LEU . 75.3 t -59.97 -54.97 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -43.65 -28.71 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' SER . 22.6 mmmt -70.61 -41.54 72.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.828 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -58.27 -45.43 87.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 134' ' ' LEU . 7.3 mp -47.57 -39.18 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.0 t -116.57 26.72 9.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' LYS . 5.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.572 0.225 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.553 HG13 HD12 ' A' ' 6' ' ' LEU . 45.7 t -70.11 141.55 89.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.5 Cg_endo -74.96 174.45 12.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' C ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.96 -59.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -40.73 -29.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.553 HD12 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -87.07 -66.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -43.74 -30.38 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -55.92 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.715 ' HB1' ' OH ' ' A' ' 28' ' ' TYR . . . -57.59 -51.45 69.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.782 HD11 ' HD2' ' A' ' 101' ' ' PHE . 72.1 mt -54.75 -53.49 54.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.79 -51.84 68.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 16' ' ' LEU . 43.4 tp -55.23 -48.52 73.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.698 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 45.8 t80 -54.4 -58.78 6.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -60.41 -19.07 54.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.1 t -86.7 -30.89 21.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD13 HG21 ' A' ' 24' ' ' VAL . 28.7 mt -70.13 158.52 87.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.59 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -74.98 136.27 20.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' PRO . 2.1 ttmm -36.13 -69.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 20' ' ' LEU . 6.8 pt-20 -35.36 -44.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.59 HD12 ' CG ' ' A' ' 17' ' ' PRO . 13.2 mt -72.74 -51.31 19.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' LYS . 14.5 mtt180 -37.17 -34.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -59.96 -54.16 49.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.2 pt20 -65.71 -39.47 91.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.475 HG21 HD13 ' A' ' 16' ' ' LEU . 84.0 t -48.29 -62.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.698 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 24.1 mt -45.62 -39.7 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 22' ' ' SER . 3.0 mm? -68.25 -51.56 43.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.8 mt-10 -47.47 -50.48 23.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.715 ' OH ' ' HB1' ' A' ' 9' ' ' ALA . 3.1 m-85 -43.83 -55.49 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -55.72 -32.8 63.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -67.57 -25.23 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.32 39.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.3 100.63 35.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.81 42.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 155.58 43.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 160.24 40.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 147.29 33.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.76 . . . . 0.0 110.977 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.03 58.48 4.93 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.18 39.26 0.07 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 36' ' ' PRO . 69.9 t -143.96 135.12 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.423 0.719 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -95.57 123.16 38.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 65' ' ' TYR . 2.3 mp -109.66 152.07 26.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.58 124.94 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 23.2 ttp180 -63.74 147.77 50.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.441 HG22 ' HD3' ' A' ' 125' ' ' ARG . 92.9 t -98.89 91.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -24.59 64.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.632 ' HG2' ' HB2' ' A' ' 121' ' ' ALA . 1.0 OUTLIER -60.61 -29.38 69.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.435 ' C ' ' CG ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -102.18 -16.57 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.435 ' CG ' ' C ' ' A' ' 47' ' ' CYS . 1.5 mt-30 76.64 -59.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.0 p -41.37 160.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 63.48 6.04 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -108.65 105.11 14.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 43' ' ' ARG . 2.1 m-85 -105.13 132.47 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.847 ' HB ' HD21 ' A' ' 126' ' ' LEU . 30.5 m -128.57 157.59 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.405 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 83.1 t60 -149.58 115.52 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 126' ' ' LEU . . . -105.77 130.29 53.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 22.8 m-20 -156.88 164.63 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.83 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -135.73 123.73 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.91 111.55 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.61 -82.54 1.58 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.93 22.38 0.6 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 57' ' ' VAL . 5.6 pttt -136.98 152.32 50.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 89' ' ' GLU . 59.0 t -91.85 146.7 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.579 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 2.3 mmt180 -119.25 102.55 8.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' A' ' 86' ' ' LEU . 9.0 mt -81.71 138.04 35.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 66.7 m-85 -141.18 120.02 12.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 53' ' ' VAL . 92.7 m-85 -124.06 138.81 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -132.07 111.61 11.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.574 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.499 HG11 ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -138.57 111.73 8.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.01 -65.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' PRO . 35.4 t70 -37.42 -31.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' PRO . 2.8 mt-10 69.68 30.73 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -52.4 124.14 31.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.603 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.05 -8.19 19.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -96.46 -25.17 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.495 HG22 HH22 ' A' ' 115' ' ' ARG . 24.2 t -94.1 -38.34 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.587 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 2.7 tttt -72.08 -40.9 67.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.06 -51.21 1.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.535 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.5 t80 -64.04 -53.69 45.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 78' ' ' PHE . . . -40.12 -49.42 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 84' ' ' GLU . . . -63.31 -34.74 90.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.674 ' O ' HD12 ' A' ' 81' ' ' LEU . 2.1 tp -63.65 -37.21 86.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.624 ' CA ' HD12 ' A' ' 86' ' ' LEU . 3.2 mm? -69.16 -56.95 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.476 ' HG3' ' CB ' ' A' ' 87' ' ' GLU . 58.8 ttt-85 -63.82 -24.33 67.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.563 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -48.56 -45.99 38.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.647 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -143.27 61.07 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 85' ' ' GLY . 56.1 mt -156.1 -45.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.77 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -58.7 125.17 22.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.02 -21.87 34.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.803 ' O ' HG23 ' A' ' 62' ' ' VAL . 18.5 mm-40 -71.2 173.01 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.983 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.7 m -80.88 158.9 69.87 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 94' ' ' VAL . 18.5 Cg_endo -75.01 -9.7 20.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.77 -35.45 17.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.99 -32.21 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.983 HG13 ' O ' ' A' ' 90' ' ' SER . 13.0 m -68.05 -47.95 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' N ' HG23 ' A' ' 94' ' ' VAL . 2.7 mt -59.22 -34.16 71.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -58.13 -23.3 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.61 HG21 HD21 ' A' ' 86' ' ' LEU . 50.9 t -69.72 113.43 17.24 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 167.2 27.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.472 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -74.97 -2.25 12.28 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.81 24.84 5.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.782 ' HD2' HD11 ' A' ' 10' ' ' LEU . 21.5 p90 -63.62 -28.93 70.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.888 ' HB2' HD13 ' A' ' 107' ' ' LEU . 37.6 p90 -78.85 -41.04 31.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -48.94 127.46 14.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.55 -46.18 1.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.568 1.168 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.626 ' CE2' HD13 ' A' ' 10' ' ' LEU . 82.4 m-85 -78.17 50.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 105' ' ' TYR . . . 30.95 54.32 0.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.888 HD13 ' HB2' ' A' ' 102' ' ' TYR . 3.5 mt -101.13 -40.73 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -63.41 -33.08 74.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.53 -24.1 2.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -105.01 -49.05 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 67.4 m-85 -87.31 125.09 34.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 p -57.55 162.86 4.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.443 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.19 19.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.14 -48.98 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.495 HH22 HG22 ' A' ' 75' ' ' VAL . 14.0 mtp85 -62.31 -40.63 96.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.655 HD22 ' CE2' ' A' ' 102' ' ' TYR . 16.9 mt -53.46 -49.06 68.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -48.44 -32.4 7.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.535 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -86.23 -39.39 7.91 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.526 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 15.1 mt -59.55 -57.64 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.49 ' CD ' ' CE1' ' A' ' 102' ' ' TYR . 28.1 mm-40 -44.79 -43.91 8.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.632 ' HB2' ' HG2' ' A' ' 46' ' ' GLU . . . -42.33 -39.48 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.82 -60.69 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 97' ' ' VAL . 27.1 tp -54.86 -52.94 61.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 99' ' ' PRO . 35.7 mt -50.04 -50.64 46.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' A' ' 44' ' ' VAL . 23.3 mtt-85 -60.57 -65.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.847 HD21 ' HB ' ' A' ' 53' ' ' VAL . 16.4 mt -44.33 -52.07 7.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 37.5 mt-30 -59.27 -33.76 71.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -69.29 -16.5 63.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -95.43 -23.53 17.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.571 HG13 ' HB3' ' A' ' 91' ' ' PRO . 94.3 t -76.75 -43.19 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.728 ' O ' HG22 ' A' ' 135' ' ' THR . 11.4 mtt180 -45.75 -25.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.455 ' HA ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -86.47 -42.49 13.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.83 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -66.14 -33.38 75.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.795 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -69.23 -48.9 60.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.767 ' N ' HD12 ' A' ' 134' ' ' LEU . 5.5 t -79.45 -4.99 53.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' C ' HG23 ' A' ' 2' ' ' VAL . 3.0 ttt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.478 0.18 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 21.5 t -151.94 141.07 14.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 174.82 12.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.2 Cg_endo -75.06 -59.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -36.07 -35.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.551 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -87.01 -65.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.17 -31.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -57.39 13.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.653 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . . . -51.9 -66.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.863 HD13 ' CE2' ' A' ' 105' ' ' TYR . 93.5 mt -42.28 -64.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -43.36 -49.1 7.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 16' ' ' LEU . 12.1 tp -62.21 -35.58 79.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' LEU . 5.8 t80 -59.69 -64.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -57.89 -18.71 24.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 t -85.34 -38.14 19.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 16' ' ' LEU . 28.8 mt -70.23 159.04 86.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -74.98 136.23 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' GLU . 7.7 tttp -34.83 -68.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -33.88 -57.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ARG . 14.7 mt -58.06 -57.41 12.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LEU . 13.7 mtt180 -36.58 -39.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -56.69 -55.25 36.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' LEU . 4.4 pt20 -66.68 -37.94 85.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.0 t -49.47 -57.66 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.538 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 39.6 mt -50.36 -42.04 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 73' ' ' PRO . 6.7 mt -61.42 -37.41 83.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.63 -44.97 80.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.5 m-85 -53.49 -24.24 12.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.59 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -89.02 -27.07 21.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.15 -19.49 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.59 -32.4 18.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 28' ' ' TYR . 33.1 t -44.66 103.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.84 40.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.5 Cg_endo -74.95 151.11 39.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.432 1.754 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.3 Cg_endo -75.04 151.79 39.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.666 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 154.35 42.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.776 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.97 125.36 9.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.27 -21.58 21.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.666 HG21 ' HG2' ' A' ' 36' ' ' PRO . 5.9 t -76.5 133.53 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -99.13 133.19 43.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 65' ' ' TYR . 2.7 mp -117.97 147.08 43.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 2.1 tt0 -100.62 145.35 28.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 16.5 ttp180 -80.96 146.58 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.536 HG22 ' HD3' ' A' ' 125' ' ' ARG . 64.9 t -100.58 90.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -53.87 -33.09 55.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.679 ' HG2' ' HB2' ' A' ' 121' ' ' ALA . 1.8 tp10 -54.65 -24.84 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.1 t -113.79 121.12 43.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -50.96 -48.46 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.9 p -58.89 155.84 29.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.79 4.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.665 ' HE2' ' HB2' ' A' ' 122' ' ' ALA . 3.9 t80 -97.24 114.26 25.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 36.8 m-85 -104.08 144.57 31.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.58 ' CG2' HD21 ' A' ' 126' ' ' LEU . 2.1 m -144.38 163.83 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.433 ' NE2' ' OD2' ' A' ' 56' ' ' ASP . 63.5 t60 -165.35 123.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.648 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.696 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -116.47 138.84 51.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 63' ' ' ARG . 15.6 m-20 -164.56 171.76 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.729 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -135.98 122.01 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.66 108.93 19.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.07 -82.29 1.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.44 20.97 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.1 mtmm -136.24 152.31 50.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 89' ' ' GLU . 5.6 t -86.52 155.22 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.548 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 10.7 mmt180 -132.05 114.84 15.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.638 HD22 ' CD1' ' A' ' 126' ' ' LEU . 63.3 mt -98.35 151.34 20.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 76.3 m-85 -153.85 120.35 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.403 ' HD1' HG12 ' A' ' 53' ' ' VAL . 87.6 m-85 -126.22 135.95 52.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -132.16 118.6 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.61 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.589 HG11 ' HG3' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -138.6 116.34 9.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.469 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.03 -49.69 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.5 t0 -49.66 -17.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 13.5 pt-20 49.16 40.09 16.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.817 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -62.97 127.79 91.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.1 Cg_endo -74.98 -17.41 19.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.5 t -97.26 -16.83 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.817 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 99.7 t -94.37 -48.53 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -63.42 -43.46 97.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -37.1 -67.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.839 ' CD1' HD13 ' A' ' 119' ' ' LEU . 5.2 t80 -48.09 -56.6 7.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 82' ' ' LEU . . . -47.64 -56.22 7.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.53 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -53.31 -33.1 45.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 5.0 tt -59.53 -53.03 62.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 78' ' ' PHE . 2.7 mm? -52.17 -55.18 22.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.62 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -67.7 -12.12 59.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.653 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -67.29 -37.0 82.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.69 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -146.28 54.67 0.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 85' ' ' GLY . 54.2 mt -156.4 -47.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.488 ' HB2' ' CG ' ' A' ' 83' ' ' ARG . 1.3 tm-20 -55.08 115.62 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.24 -22.36 39.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.983 ' O ' HG23 ' A' ' 62' ' ' VAL . 39.2 mm-40 -59.92 -172.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.502 ' C ' ' CG2' ' A' ' 62' ' ' VAL . 1.4 m -87.43 161.18 46.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.654 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -14.99 20.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -96.26 -36.49 10.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.64 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.481 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 2.7 t -68.7 -56.7 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.741 HD11 ' HG3' ' A' ' 131' ' ' ARG . 4.4 mm? -52.76 -33.29 47.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 1' ' ' MET . 3.1 mm-40 -60.67 -13.52 15.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.484 ' O ' ' NE2' ' A' ' 127' ' ' GLN . 63.0 t -81.16 122.45 81.5 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.84 17.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.657 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.1 Cg_endo -75.04 -10.34 21.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.37 58.96 0.68 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.648 ' HD1' HD11 ' A' ' 10' ' ' LEU . 8.8 p90 -88.18 -1.07 57.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.964 ' HB2' HD13 ' A' ' 107' ' ' LEU . 41.4 p90 -112.28 -45.19 3.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.568 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 50.7 mtm180 -41.41 105.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.81 -70.03 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.863 ' CE2' HD13 ' A' ' 10' ' ' LEU . 82.9 m-85 -37.65 -68.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 156.81 58.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.964 HD13 ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -101.04 -24.66 14.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.467 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 13.2 mt-10 -65.08 -49.94 68.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -40.67 -28.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.419 ' N ' ' C ' ' A' ' 108' ' ' GLU . 17.8 m-85 -103.88 -45.95 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.538 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 28.1 m-85 -98.96 107.1 19.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.0 p -39.94 159.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.99 18.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.0 -63.06 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -54.03 -33.23 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.528 HD22 ' CE2' ' A' ' 102' ' ' TYR . 10.3 mt -49.56 -50.65 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.17 -56.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -62.94 -48.25 82.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.839 HD13 ' CD1' ' A' ' 78' ' ' PHE . 12.7 mt -41.72 -44.73 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 121' ' ' ALA . 10.3 mt-10 -60.32 -51.94 67.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.679 ' HB2' ' HG2' ' A' ' 46' ' ' GLU . . . -34.71 -38.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.665 ' HB2' ' HE2' ' A' ' 51' ' ' PHE . . . -51.17 -58.85 5.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.481 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.7 OUTLIER -66.06 -55.9 14.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' A' ' 99' ' ' PRO . 2.7 mm? -40.28 -43.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.536 ' HD3' HG22 ' A' ' 44' ' ' VAL . 5.2 mtt-85 -71.7 -51.07 24.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.638 ' CD1' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -45.32 -51.33 11.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.661 ' HB3' HD13 ' A' ' 95' ' ' LEU . 3.8 mt-30 -59.45 -29.71 67.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.36 -15.33 55.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 3.5 mm-40 -92.19 -37.59 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.696 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 53.2 t -71.57 -49.4 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.741 ' HG3' HD11 ' A' ' 95' ' ' LEU . 6.3 mtp180 -42.9 -30.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.768 ' O ' HG22 ' A' ' 135' ' ' THR . 8.9 mmmm -67.78 -45.4 74.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.729 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -54.02 -45.61 71.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 131' ' ' ARG . 7.9 mp -46.48 -32.74 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 132' ' ' LYS . 8.9 t -102.66 -20.33 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.51 0.195 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.804 ' CG1' HD23 ' A' ' 6' ' ' LEU . 45.4 t 67.21 141.64 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.518 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.94 173.02 15.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.462 1.77 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.05 -55.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -37.66 -45.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.804 HD23 ' CG1' ' A' ' 2' ' ' VAL . 25.1 tp -72.82 -66.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' LEU . 5.3 tptt -38.76 -30.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -80.54 -52.73 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -53.74 -38.77 64.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 105' ' ' TYR . 69.3 mt -73.35 -61.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.9 -48.49 51.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' LEU . 48.2 tp -55.48 -46.65 76.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 107' ' ' LEU . 14.7 t80 -52.86 -58.98 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -56.22 -21.23 22.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -92.19 -19.81 21.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 HG21 ' A' ' 24' ' ' VAL . 30.4 mt -73.01 157.98 87.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.562 ' HG2' HD13 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.01 137.26 21.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 17' ' ' PRO . 17.2 tttt -34.53 -68.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.801 ' HG2' HD12 ' A' ' 20' ' ' LEU . 9.5 tt0 -33.95 -49.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.801 HD12 ' HG2' ' A' ' 19' ' ' GLU . 9.8 mp -71.98 -47.5 51.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' LYS . 25.5 mtt180 -37.54 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.9 -42.63 10.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.032 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.6 mm-40 -63.13 -49.65 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.862 HG21 HD13 ' A' ' 16' ' ' LEU . 24.1 t -48.94 -60.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HG ' ' CE1' ' A' ' 13' ' ' PHE . 64.6 mt -42.23 -44.66 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -57.0 -61.37 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' ALA . 2.7 mt-10 -44.07 -61.55 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE1' ' HG3' ' A' ' 84' ' ' GLU . 5.8 m-30 -37.31 -51.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HB1' ' CG ' ' A' ' 76' ' ' LYS . . . -55.72 -46.58 77.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -67.95 -15.63 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -31.59 24.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.621 HG22 ' HA2' ' A' ' 80' ' ' GLY . 53.7 t -58.39 110.58 2.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HD3' ' NE ' ' A' ' 83' ' ' ARG . 18.2 Cg_endo -75.02 165.45 31.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 154.4 42.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.01 143.3 28.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.574 1.829 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.62 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.98 159.6 41.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 128.62 11.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.03 -28.68 10.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.62 HG21 ' HG2' ' A' ' 36' ' ' PRO . 18.7 t -67.25 123.73 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -94.8 112.71 24.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.07 142.42 29.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 1.6 tp10 -99.27 144.77 28.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 8.5 ttp-105 -80.34 145.31 32.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 47' ' ' CYS . 89.8 t -103.59 93.46 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -61.93 -33.73 74.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.6 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -50.9 -39.64 54.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.46 ' H ' HG12 ' A' ' 44' ' ' VAL . 2.9 t -88.03 150.24 23.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.49 29.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.552 HG21 ' NH2' ' A' ' 115' ' ' ARG . 47.2 p -136.92 155.66 76.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.604 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.99 60.77 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD1' HG11 ' A' ' 75' ' ' VAL . 11.4 t80 -90.81 153.34 20.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' A' ' 50' ' ' PRO . 14.8 m-85 -150.89 134.74 16.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.09 ' CG2' HD21 ' A' ' 126' ' ' LEU . 9.3 p -135.22 154.76 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.44 ' C ' ' CD2' ' A' ' 54' ' ' HIS . 1.9 t-160 -151.59 125.82 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -115.59 140.65 48.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -148.61 167.33 25.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 59.4 t -113.97 100.5 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -101.45 102.88 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.3 -78.43 2.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.64 25.47 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 14.0 mttt -133.59 176.99 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 89' ' ' GLU . 62.7 t -109.84 114.18 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 22.1 mmt180 -86.02 117.19 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.651 HD11 ' HB2' ' A' ' 86' ' ' LEU . 28.9 mt -97.2 141.44 30.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 63' ' ' ARG . 31.3 m-85 -146.96 120.15 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.449 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 85.7 m-85 -119.75 161.15 21.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -146.02 115.96 7.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.912 HG21 ' HD2' ' A' ' 76' ' ' LYS . 78.9 t -124.46 99.9 35.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.99 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.96 -14.12 3.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' CA ' HG12 ' A' ' 68' ' ' VAL . 1.8 mt-10 73.16 18.2 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' LYS . . . -50.34 120.1 11.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 76' ' ' LYS . 18.4 Cg_endo -74.99 -50.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.5 p -43.9 -30.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.615 HG11 ' CD1' ' A' ' 51' ' ' PHE . 81.5 t -93.59 -32.01 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.912 ' HD2' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -63.1 -60.56 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 25' ' ' LEU . . . -38.75 -63.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 4.5 t80 -46.06 -59.24 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.857 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.69 -40.27 12.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.621 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -72.77 -25.85 72.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 78' ' ' PHE . 4.5 tp -75.85 -46.97 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -59.43 -36.27 75.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -81.24 -11.08 59.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.547 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 4.6 mm-40 -95.36 -2.85 48.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.487 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -130.68 -33.89 0.46 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.045 HD12 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -94.58 -65.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.624 ' C ' ' O ' ' A' ' 86' ' ' LEU . 2.3 tm-20 -16.92 112.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.38 14.27 64.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 62' ' ' VAL . 35.9 mm-40 -98.96 165.28 11.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 110.358 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 p -78.65 161.33 69.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.908 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.03 -7.59 19.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -35.21 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -75.12 -30.72 60.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.045 HG22 HD12 ' A' ' 86' ' ' LEU . 12.1 t -71.13 -41.63 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.908 HD23 ' O ' ' A' ' 91' ' ' PRO . 4.4 mm? -66.59 -32.63 74.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.21 -8.34 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 93' ' ' ALA . 59.0 t -86.86 120.26 71.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 173.0 15.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.603 ' HB3' HD21 ' A' ' 124' ' ' LEU . 18.1 Cg_endo -74.99 0.35 9.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.799 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -140.46 48.78 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 12.4 p90 -69.84 -28.96 66.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.927 ' HB2' HD23 ' A' ' 107' ' ' LEU . 51.7 p90 -77.79 -25.65 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -39.53 124.18 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 75.45 77.45 0.71 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.4 m-85 -172.16 -51.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 161.47 -44.24 0.39 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.927 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -43.77 -47.27 7.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.803 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -51.41 14.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -71.09 -59.34 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.47 -65.26 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -78.51 141.1 38.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -61.9 160.46 28.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.71 17.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.08 -55.51 3.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.552 ' NH2' HG21 ' A' ' 49' ' ' THR . 1.5 ttt180 -62.88 -37.19 85.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.8 mt -51.84 -47.0 64.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.9 mtt-85 -46.07 -42.69 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -71.47 -54.58 8.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.588 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -44.3 -40.79 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.83 -43.48 98.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 122' ' ' ALA . . . -54.29 -48.46 71.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 121' ' ' ALA . . . -38.65 -50.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.478 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.1 tm? -65.7 -63.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 99' ' ' PRO . 12.3 mt -40.67 -29.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 3.5 mmp_? -75.48 -60.34 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.09 HD21 ' CG2' ' A' ' 53' ' ' VAL . 16.1 mt -46.28 -55.12 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.657 ' HB3' HD13 ' A' ' 95' ' ' LEU . 14.7 mt-30 -45.56 -32.67 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -74.26 -42.76 59.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 126' ' ' LEU . 53.7 mt-30 -65.66 -56.2 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.642 ' HB ' HD21 ' A' ' 95' ' ' LEU . 13.3 t -49.93 -61.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.743 ' HG3' HD11 ' A' ' 95' ' ' LEU . 1.6 mtt-85 -39.43 -30.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 133' ' ' ALA . 1.0 OUTLIER -68.27 -53.14 26.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 132' ' ' LYS . . . -47.52 -41.6 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 18.4 mt -46.46 -44.18 17.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 136' ' ' SER . 9.8 t -114.85 26.89 9.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 135' ' ' THR . 2.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HG2' HG23 ' A' ' 2' ' ' VAL . 20.8 ttm . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.55 0.214 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 5.0 t 71.72 140.97 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.96 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 8' ' ' GLN . 18.3 Cg_endo -75.03 -49.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -50.13 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -67.81 -67.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -40.52 -31.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 4' ' ' PRO . 2.7 mt-30 -67.56 -59.24 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.78 -49.64 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.617 HD11 ' HD1' ' A' ' 101' ' ' PHE . 97.4 mt -63.03 -70.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -41.34 -43.33 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' LEU . 20.5 tp -65.57 -45.3 83.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 21' ' ' ARG . 40.9 t80 -51.46 -57.9 7.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -59.7 -15.11 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -8.51 20.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.992 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.518 HD13 HG21 ' A' ' 24' ' ' VAL . 28.3 mt -83.4 160.74 58.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.72 ' HG2' HD22 ' A' ' 20' ' ' LEU . 18.4 Cg_endo -75.05 139.05 23.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -38.1 -70.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.601 ' HG3' HD13 ' A' ' 20' ' ' LEU . 6.8 pt-20 -34.05 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.72 HD22 ' HG2' ' A' ' 17' ' ' PRO . 9.2 mp -85.05 -56.57 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -37.65 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.39 -44.9 9.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.52 ' OE1' HD12 ' A' ' 20' ' ' LEU . 3.3 pt20 -65.55 -39.44 91.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.235 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG21 HD13 ' A' ' 16' ' ' LEU . 50.0 t -54.91 -57.85 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 HD21 ' A' ' 107' ' ' LEU . 77.1 mt -42.21 -36.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 26' ' ' LEU . 1.7 mm? -69.06 -54.72 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.7 OUTLIER -48.87 -51.62 28.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.592 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.8 m-30 -40.17 -55.66 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.656 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -57.96 -36.88 73.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -65.6 -25.59 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.2 32.62 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.674 HG22 ' HD3' ' A' ' 83' ' ' ARG . 72.0 t -125.85 98.02 34.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.25 40.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.2 Cg_endo -75.03 155.43 42.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.3 Cg_endo -75.01 152.85 41.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.456 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.98 161.01 39.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.946 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.62 11.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.39 -41.5 2.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.456 HG21 ' HG2' ' A' ' 36' ' ' PRO . 54.2 t -55.65 123.57 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.733 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.52 128.81 36.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.535 HD23 ' C ' ' A' ' 53' ' ' VAL . 2.0 mp -116.1 149.11 39.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.26 138.54 35.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -74.65 134.87 41.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.638 HG22 ' HD3' ' A' ' 125' ' ' ARG . 96.9 t -94.87 91.43 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -55.77 -49.39 73.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.14 -35.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 23.9 t -89.99 144.2 26.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -65.31 -59.07 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.7 p -65.84 160.7 60.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -74.94 74.9 3.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.454 ' O ' HG23 ' A' ' 44' ' ' VAL . 5.3 t80 -89.19 106.81 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 23.1 m-85 -103.92 134.32 47.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.535 ' C ' HD23 ' A' ' 41' ' ' LEU . 16.8 m -139.58 162.29 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -148.95 129.13 13.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.816 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -118.14 139.53 51.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 63' ' ' ARG . 17.8 m-20 -165.34 167.03 18.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.6 ' CG1' ' CB ' ' A' ' 133' ' ' ALA . 0.8 OUTLIER -135.75 129.2 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -125.3 101.22 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.0 -81.41 0.56 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.32 21.47 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 13.9 mttm -139.43 151.02 45.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 0.724 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -98.75 127.78 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 4.1 mmm180 -91.51 126.25 36.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.792 HD13 ' HA ' ' A' ' 87' ' ' GLU . 1.3 mp -99.44 149.05 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 92.5 m-85 -152.59 124.88 8.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CD1' HG12 ' A' ' 53' ' ' VAL . 98.4 m-85 -130.22 151.72 50.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -140.31 115.15 9.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.659 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.22 109.16 33.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -69.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.51 -30.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 69.05 56.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -83.53 129.77 58.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -75.0 -7.89 19.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -96.82 -25.73 15.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 20.6 t -92.83 -38.15 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.656 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 4.9 tttt -67.97 -38.67 83.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.81 -57.79 4.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.584 ' CG ' HD13 ' A' ' 119' ' ' LEU . 1.6 t80 -55.09 -49.4 71.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.91 -45.67 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.16 -28.84 73.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 78' ' ' PHE . 11.5 tp -68.16 -35.0 77.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.4 mm? -68.53 -52.73 28.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.674 ' HD3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -72.9 -16.82 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.582 ' HG3' ' CE2' ' A' ' 28' ' ' TYR . 2.7 mm-40 -49.77 -54.11 21.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.769 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -126.97 51.66 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 85' ' ' GLY . 43.2 mt -151.64 -42.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.792 ' HA ' HD13 ' A' ' 64' ' ' LEU . 18.0 tp10 -46.32 110.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.31 34.73 35.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.645 ' O ' HG13 ' A' ' 62' ' ' VAL . 72.6 mm-40 -108.17 178.49 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 p -77.27 157.15 81.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.063 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.722 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.02 -14.54 21.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.791 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.57 -38.15 11.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.46 -26.1 65.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.929 HG21 HG21 ' A' ' 62' ' ' VAL . 2.9 t -78.0 -42.32 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 91' ' ' PRO . 3.2 mm? -64.98 -34.95 79.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.91 -27.19 63.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.553 ' O ' HD21 ' A' ' 123' ' ' LEU . 40.1 t -64.47 111.97 6.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.444 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.0 170.33 20.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.803 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -1.88 11.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.55 43.62 1.27 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.617 ' HD1' HD11 ' A' ' 10' ' ' LEU . 28.6 p90 -80.14 -3.87 50.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.489 ' HB2' HD13 ' A' ' 107' ' ' LEU . 35.3 p90 -108.2 -37.13 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.425 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 42.5 mtt180 -49.98 128.11 17.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 105' ' ' TYR . . . 118.17 -71.94 0.3 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.593 ' CE2' HD13 ' A' ' 10' ' ' LEU . 65.5 m-85 -35.36 -85.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 170.65 51.18 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 102' ' ' TYR . 4.2 mt -101.45 -46.04 5.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -55.13 -37.7 67.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.4 -31.03 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 21' ' ' ARG . 26.5 m-85 -96.41 -43.14 7.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.89 ' HB2' HD21 ' A' ' 116' ' ' LEU . 49.2 m-85 -104.08 123.19 46.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.892 ' O ' HD23 ' A' ' 116' ' ' LEU . 1.4 p -46.68 159.74 0.35 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.38 16.9 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -76.58 -56.54 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -51.12 -41.7 60.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.892 HD23 ' O ' ' A' ' 112' ' ' THR . 4.1 mm? -56.87 -50.72 71.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -42.73 -27.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -90.9 -41.57 5.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.584 HD13 ' CG ' ' A' ' 78' ' ' PHE . 15.4 mt -59.0 -48.4 81.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' CD ' ' CE1' ' A' ' 102' ' ' TYR . 32.8 mm-40 -48.64 -37.08 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 118' ' ' GLY . . . -47.95 -37.76 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.43 ' C ' HD12 ' A' ' 126' ' ' LEU . . . -51.42 -65.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.553 HD21 ' O ' ' A' ' 97' ' ' VAL . 13.5 tp -48.59 -56.04 9.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.68 -48.49 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.638 ' HD3' HG22 ' A' ' 44' ' ' VAL . 13.1 mtt-85 -58.93 -62.96 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.636 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 1.5 mt -47.19 -48.77 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 15.2 mt-30 -50.37 -27.26 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -81.81 -31.72 31.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.816 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 10.0 mt-30 -76.23 -29.77 57.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.581 ' HB ' HD21 ' A' ' 95' ' ' LEU . 86.1 t -76.39 -60.8 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.707 ' HG3' HD11 ' A' ' 95' ' ' LEU . 8.6 mtt180 -41.01 -32.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.709 ' O ' HG22 ' A' ' 135' ' ' THR . 0.0 OUTLIER -66.19 -46.9 75.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.6 ' CB ' ' CG1' ' A' ' 57' ' ' VAL . . . -51.77 -42.35 62.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 91' ' ' PRO . 7.0 mp -52.24 -40.51 61.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 132' ' ' LYS . 13.9 t -91.18 -15.77 28.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' LYS . 4.9 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.405 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.509 0.195 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.504 HG12 ' HD2' ' A' ' 3' ' ' PRO . 2.9 t 68.04 141.78 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.504 ' HD2' HG12 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.93 176.61 9.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 3' ' ' PRO . 18.3 Cg_endo -75.04 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 4.3 mmmt -39.34 -50.62 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.37 -69.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -41.28 -29.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' PRO . 2.4 mt-30 -75.18 -63.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.63 -31.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.613 HD11 ' HD2' ' A' ' 101' ' ' PHE . 78.8 mt -80.35 -53.19 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.15 -47.72 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.5 -41.34 76.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 7.6 t80 -57.59 -63.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -50.98 -27.08 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.24 -38.25 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 mt -69.87 157.57 89.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.5 Cg_endo -74.94 135.11 18.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 17' ' ' PRO . 2.4 tttm -34.09 -68.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.1 pm0 -35.21 -56.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.505 HD12 ' CG ' ' A' ' 17' ' ' PRO . 16.8 mt -60.83 -53.74 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 8.8 mtt180 -39.54 -58.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.28 -42.43 30.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.3 mm-40 -68.95 -35.1 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.527 HG13 ' CE1' ' A' ' 28' ' ' TYR . 3.1 t -63.15 -65.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 38.4 mt -39.06 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -68.36 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -52.01 -32.35 33.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.553 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 m-85 -57.8 -33.53 68.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.709 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -82.97 -38.57 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.73 -17.65 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -86.11 -25.05 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 28' ' ' TYR . 72.4 t -69.34 113.33 15.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.3 27.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.95 41.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -75.03 139.65 24.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.807 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.606 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -74.99 163.31 35.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.31 16.49 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.1 -29.58 10.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.947 HG13 ' CD2' ' A' ' 54' ' ' HIS . 69.2 t -65.5 120.71 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 4.1 tt0 -92.81 112.83 24.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 54' ' ' HIS . 1.2 mp -97.52 140.12 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.8 132.03 37.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 47' ' ' CYS . 2.2 tpt180 -68.06 128.48 36.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 47' ' ' CYS . 72.8 t -94.56 88.24 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.415 ' HA ' ' NH2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -56.75 -45.12 82.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.568 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.83 -48.12 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.577 ' H ' HG12 ' A' ' 44' ' ' VAL . 5.8 t -81.88 113.12 19.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -38.91 -34.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -84.58 152.39 60.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.377 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 75.23 3.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -96.24 107.41 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -98.07 138.37 35.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.628 ' HB ' HD21 ' A' ' 126' ' ' LEU . 33.8 m -136.23 148.57 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.947 ' CD2' HG13 ' A' ' 39' ' ' VAL . 83.1 t60 -134.85 105.66 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.89 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -103.25 132.8 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 63' ' ' ARG . 10.5 m-20 -157.17 165.85 34.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.541 HG12 ' CB ' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -134.26 126.1 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.36 102.32 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.21 -78.53 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.66 24.29 0.3 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.7 mttt -141.54 142.71 33.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.902 HG21 HG21 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -92.77 122.9 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -86.37 120.89 28.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 83' ' ' ARG . 77.3 mt -91.14 138.62 31.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 64.2 m-85 -146.66 121.53 9.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.77 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 83.0 m-85 -125.0 145.68 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -134.25 120.41 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.497 HG12 ' H ' ' A' ' 71' ' ' GLU . 46.3 t -129.51 111.72 17.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -61.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -50.7 -22.15 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.497 ' H ' HG12 ' A' ' 68' ' ' VAL . 18.6 mt-10 66.69 44.27 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -73.16 125.43 90.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.73 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.4 Cg_endo -74.96 -5.89 17.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.5 p -93.03 -44.92 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' A' ' 119' ' ' LEU . 40.8 t -73.51 -50.97 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.709 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -58.62 -43.36 89.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -39.5 -67.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.878 ' O ' HD22 ' A' ' 82' ' ' LEU . 3.2 t80 -41.6 -55.69 2.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.77 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -43.09 -54.98 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 32' ' ' VAL . . . -53.15 -38.42 56.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' GLU . 5.4 tt -55.77 -61.72 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.878 HD22 ' O ' ' A' ' 78' ' ' PHE . 1.4 mm? -39.7 -65.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.468 ' HA ' HD12 ' A' ' 64' ' ' LEU . 15.2 ttt180 -51.87 -32.96 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 33.7 mm-40 -74.56 -3.26 29.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.432 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -124.37 -41.97 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.977 HD12 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -91.41 -69.67 0.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 0.748 . . . . 0.0 109.269 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.536 ' O ' ' O ' ' A' ' 86' ' ' LEU . 1.1 tt0 45.09 104.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.52 36.91 1.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.77 ' O ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -75.96 -169.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 94' ' ' VAL . 12.8 p -89.27 157.01 48.28 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.98 -9.09 20.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.32 -34.14 14.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.962 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -77.73 -32.34 52.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.977 HG22 HD12 ' A' ' 86' ' ' LEU . 70.6 t -75.98 -20.52 15.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.762 HD21 ' O ' ' A' ' 127' ' ' GLN . 29.2 mt -93.44 -26.74 17.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -84.21 8.37 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 93' ' ' ALA . 47.2 t -94.89 120.44 64.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.32 40.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.27 10.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.9 20.64 10.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.613 ' HD2' HD11 ' A' ' 10' ' ' LEU . 25.3 p90 -61.41 -20.46 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.676 ' HB2' HD13 ' A' ' 107' ' ' LEU . 32.0 p90 -89.64 -2.73 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -77.49 161.58 27.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.544 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 59.42 66.86 2.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 21.9 m-85 -167.52 -94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 174.55 48.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -101.62 -54.12 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.47 -40.93 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.73 -40.27 27.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -91.44 -38.23 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 35.1 m-85 -101.47 104.78 15.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 40.0 p -40.83 161.63 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.417 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.36 20.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.789 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.28 -64.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -52.3 -29.47 23.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' ARG . 5.8 mt -54.79 -50.51 68.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -38.16 -43.5 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.598 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . -66.51 -58.97 7.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -41.04 -59.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -48.79 -43.48 38.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 118' ' ' GLY . . . -50.68 -39.85 52.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -50.88 -63.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.537 HD21 HG12 ' A' ' 97' ' ' VAL . 11.9 tp -48.96 -50.84 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 121' ' ' ALA . 12.2 mt -53.8 -54.99 30.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -54.56 17.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.815 ' O ' HG23 ' A' ' 130' ' ' VAL . 1.7 mt -57.15 -47.91 80.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.762 ' O ' HD21 ' A' ' 95' ' ' LEU . 7.0 mt-30 -48.29 -30.42 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.53 -29.53 27.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.89 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 96.1 mt-30 -79.45 -9.16 59.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 126' ' ' LEU . 42.1 t -85.5 -62.26 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 7.1 mtt85 -48.51 -38.79 21.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.506 ' C ' ' CD ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER -65.31 -42.22 93.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.541 ' CB ' HG12 ' A' ' 57' ' ' VAL . . . -57.08 -30.83 64.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.14 -44.4 84.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 t -98.21 17.04 19.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.491 0.186 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.54 HG13 ' HD2' ' A' ' 3' ' ' PRO . 47.0 t 66.87 142.03 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.54 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.96 173.9 13.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.552 1.817 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.01 -55.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 12.2 mttt -38.39 -42.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.63 -68.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -40.08 -29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 6' ' ' LEU . 2.9 mm-40 -79.56 -50.83 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -58.88 -37.22 76.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.621 HD11 ' HD1' ' A' ' 101' ' ' PHE . 41.8 mt -72.97 -66.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -47.41 -42.29 21.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' CB ' ' O ' ' A' ' 8' ' ' GLN . 55.6 tp -61.39 -52.04 66.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HE2' HD13 ' A' ' 107' ' ' LEU . 38.7 t80 -49.19 -60.63 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -60.42 -30.99 69.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.6 t -73.25 -25.27 60.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LEU . 37.4 mt -75.95 159.2 81.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.3 Cg_endo -75.01 138.89 23.61 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' PRO . 6.0 tttt -35.0 -69.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -33.48 -56.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLN . 14.4 mt -61.99 -53.44 55.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 11.0 mtt180 -38.57 -49.34 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -51.16 -46.51 62.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' LEU . 1.9 mm100 -64.99 -44.0 90.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.699 HG12 ' CE2' ' A' ' 28' ' ' TYR . 84.1 t -46.59 -60.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.644 HD22 ' HZ ' ' A' ' 111' ' ' PHE . 88.8 mt -42.78 -40.68 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 26' ' ' LEU . 4.2 mm? -73.73 -53.95 9.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.648 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.6 mt-10 -42.79 -51.09 5.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.699 ' CE2' HG12 ' A' ' 24' ' ' VAL . 6.7 m-85 -49.1 -66.27 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.87 -24.98 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -75.18 -34.06 61.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' TYR . 8.6 mttt -80.48 -33.42 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.518 HG22 ' HA2' ' A' ' 80' ' ' GLY . 44.0 t -43.74 103.27 0.31 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.21 41.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.3 Cg_endo -75.04 153.48 41.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -75.01 147.23 33.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.797 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.96 155.22 43.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.97 125.99 9.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.59 -3.37 36.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.725 HG21 ' HG2' ' A' ' 36' ' ' PRO . 3.2 t -92.77 132.75 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' O ' ' ND1' ' A' ' 54' ' ' HIS . 13.8 tt0 -101.71 118.42 36.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 65' ' ' TYR . 2.3 mp -101.24 151.29 22.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -103.03 118.83 37.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 1.7 ttt-85 -67.85 140.29 56.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.484 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 59.2 t -91.74 90.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -50.5 -31.63 15.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -26.6 62.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.428 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -97.12 112.1 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.287 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.5 -20.96 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 p -91.17 164.49 24.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 94.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.457 ' HE2' ' HB2' ' A' ' 122' ' ' ALA . 5.6 t80 -124.72 113.0 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -113.75 113.01 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.668 HG12 ' HD1' ' A' ' 66' ' ' PHE . 10.4 m -109.14 165.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 40' ' ' GLU . 62.1 t60 -158.93 133.86 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.623 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.69 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -129.03 128.19 43.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 14.2 m-20 -144.86 167.49 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' HB1' ' A' ' 133' ' ' ALA . 47.6 t -113.64 105.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.39 101.68 13.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.51 -82.08 1.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.93 14.52 1.73 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 10.6 mtmt -129.41 161.39 30.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -98.03 126.13 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 10.9 mmt-85 -95.57 138.04 33.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 87' ' ' GLU . 17.5 mt -121.79 144.3 48.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.502 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 57.4 m-85 -148.04 124.82 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.668 ' HD1' HG12 ' A' ' 53' ' ' VAL . 67.7 m-85 -124.9 140.1 53.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -123.52 118.96 28.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.608 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.621 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.4 t -131.61 114.32 15.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -62.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -23.56 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.39 43.52 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.41 117.92 48.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.773 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.97 -5.55 16.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.8 p -91.46 -34.89 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 t -92.47 -45.17 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.621 ' HG3' HG21 ' A' ' 68' ' ' VAL . 12.7 tttt -62.21 -42.58 99.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -38.82 -68.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 1.8 t80 -45.29 -50.17 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.723 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.6 -48.87 19.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.518 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -62.7 -30.3 76.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.43 -46.62 59.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 79' ' ' ALA . 3.1 mt -58.57 -36.37 73.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' A' ' 87' ' ' GLU . 0.1 OUTLIER -79.08 -14.84 58.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -95.69 -0.17 51.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.557 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -133.34 -37.21 0.25 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.748 HD11 HG21 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -96.85 -70.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 83' ' ' ARG . 10.5 tm-20 -30.63 114.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.85 0.39 57.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.867 ' O ' HG13 ' A' ' 62' ' ' VAL . 24.4 mm-40 -96.26 -172.77 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.507 ' C ' ' CG1' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -92.4 161.05 33.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.628 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.01 -12.78 21.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -94.34 -35.27 12.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.06 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 62' ' ' VAL . 25.0 t -67.93 -55.84 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 91' ' ' PRO . 3.5 mm? -50.37 -35.48 28.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.46 -13.42 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.748 HG21 HD11 ' A' ' 86' ' ' LEU . 46.7 t -84.52 114.02 52.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 173.83 13.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.869 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.4 Cg_endo -74.96 0.76 8.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.96 40.53 1.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.621 ' HD1' HD11 ' A' ' 10' ' ' LEU . 4.8 p90 -74.5 -14.31 60.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.792 ' HB2' HD23 ' A' ' 107' ' ' LEU . 47.0 p90 -92.68 -20.74 20.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -46.77 133.94 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 67.81 76.42 0.41 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 10' ' ' LEU . 1.8 m-85 -170.36 -50.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 108' ' ' GLU . . . 161.93 -46.07 0.36 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.792 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -38.9 -31.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -66.17 -54.51 24.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -79.84 -11.4 59.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.606 ' CD1' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -86.96 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.644 ' HZ ' HD22 ' A' ' 25' ' ' LEU . 60.4 m-85 -91.15 129.73 37.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 33.1 p -39.21 159.03 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.05 20.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.83 -57.58 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -19.26 25.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 108' ' ' GLU . 6.5 mt -68.29 -48.57 64.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -39.26 -42.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -63.19 -49.56 70.15 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.7 mp -50.61 -35.94 32.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 0.802 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -65.84 -66.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.531 ' HB1' ' HE ' ' A' ' 125' ' ' ARG . . . -32.51 -49.59 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.457 ' HB2' ' HE2' ' A' ' 51' ' ' PHE . . . -41.31 -57.45 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.2 tm? -61.72 -52.96 62.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 99' ' ' PRO . 10.5 mp -41.64 -58.22 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.531 ' HE ' ' HB1' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -53.48 -64.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.69 HD22 ' HB2' ' A' ' 55' ' ' ALA . 25.2 mt -41.99 -53.81 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.523 ' HG3' HD22 ' A' ' 123' ' ' LEU . 4.9 mt-30 -55.79 -35.11 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -81.59 -11.46 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.574 ' HG2' ' HB3' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -98.35 -32.67 11.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 133' ' ' ALA . 55.4 t -69.27 -45.21 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.66 -33.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.873 ' O ' HG22 ' A' ' 135' ' ' THR . 0.2 OUTLIER -72.52 -49.31 33.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.516 ' HB1' HG23 ' A' ' 57' ' ' VAL . . . -50.99 -26.12 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 91' ' ' PRO . 25.8 mt -58.0 -27.85 63.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.873 HG22 ' O ' ' A' ' 132' ' ' LYS . 9.0 t -89.69 -3.15 58.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.527 0.203 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.66 HG13 HD12 ' A' ' 6' ' ' LEU . 55.0 t -50.83 141.67 17.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.542 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.97 173.66 14.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.407 ' C ' ' N ' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.95 -58.3 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -31.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.66 HD12 HG13 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -85.48 -67.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -43.84 -28.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 6' ' ' LEU . 5.0 mm100 -66.48 -52.66 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' HB1' ' OH ' ' A' ' 28' ' ' TYR . . . -56.76 -52.27 65.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 101' ' ' PHE . 81.5 mt -57.09 -56.31 23.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.04 -54.29 44.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.11 -48.64 61.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 14.4 t80 -50.24 -62.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -56.45 -25.3 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -77.82 -34.98 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.2 mt -73.62 159.18 85.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.476 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.3 Cg_endo -74.96 136.63 20.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -34.77 -69.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.8 pm0 -34.9 -57.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' CG ' ' A' ' 17' ' ' PRO . 15.5 mt -59.5 -55.07 39.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' LEU . 10.6 mtt180 -37.59 -56.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -43.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.7 mm-40 -69.14 -44.48 72.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG1' ' CE1' ' A' ' 28' ' ' TYR . 79.5 t -48.05 -64.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.525 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 74.5 mt -40.31 -42.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.9 mm? -66.0 -55.67 15.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.1 mt-10 -45.81 -50.97 13.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.583 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.5 m-30 -45.23 -55.2 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -58.82 -29.8 67.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -71.57 -27.4 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.61 31.69 1.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.837 HG22 ' HD2' ' A' ' 83' ' ' ARG . 54.7 t -121.41 102.03 43.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 161.41 38.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 18.2 Cg_endo -74.99 155.86 43.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' PRO . 18.3 Cg_endo -74.99 155.05 42.94 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HG2' HG21 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -74.99 156.09 43.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.05 121.01 6.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.84 -31.85 4.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.486 HG21 ' HG2' ' A' ' 36' ' ' PRO . 54.1 t -67.24 126.92 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -95.12 118.64 32.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 53' ' ' VAL . 2.0 mp -104.28 151.21 23.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -103.42 126.39 50.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 17.8 ttp180 -63.13 144.86 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 51' ' ' PHE . 89.5 t -97.22 91.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -55.26 -42.87 74.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.58 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -49.68 -24.47 2.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 t -102.22 129.7 48.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -53.73 -40.35 66.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.8 p -81.93 153.9 69.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -74.97 76.07 3.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.7 t80 -92.69 100.88 13.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 6.4 m-85 -90.45 138.76 31.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.653 HG12 ' HD1' ' A' ' 66' ' ' PHE . 19.6 m -140.62 160.98 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.46 ' N ' HD23 ' A' ' 41' ' ' LEU . 75.9 t60 -151.56 121.53 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 129' ' ' GLN . . . -112.8 136.56 52.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' ARG . 16.4 m-20 -165.09 168.99 16.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.804 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.7 OUTLIER -136.42 126.69 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -121.16 101.86 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.1 -82.11 0.72 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.05 19.89 0.65 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 2.3 mtmp? -136.96 149.76 47.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.928 HG23 HD11 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -95.58 129.84 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.674 ' C ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -96.48 125.36 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.928 HD11 HG23 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -108.57 141.24 40.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 93.7 m-85 -141.66 119.65 12.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.902 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 33.1 m-85 -118.47 136.59 53.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -127.97 116.72 20.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.47 HG12 ' H ' ' A' ' 71' ' ' GLU . 14.9 t -125.32 113.1 25.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -62.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -54.66 -21.52 10.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.47 ' H ' HG12 ' A' ' 68' ' ' VAL . 3.7 mt-10 66.26 39.82 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -63.54 132.97 95.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.812 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.5 Cg_endo -75.0 -9.47 20.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.6 p -96.29 -40.27 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.486 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 45.3 t -73.33 -36.79 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.658 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.8 tttp -78.27 -46.05 21.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.812 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -40.09 -64.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.959 ' CD1' HD13 ' A' ' 119' ' ' LEU . 3.2 t80 -46.29 -57.4 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.902 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -39.47 -57.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 83' ' ' ARG . . . -52.5 -35.05 43.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.748 ' O ' HD23 ' A' ' 81' ' ' LEU . 3.3 tt -63.65 -41.37 98.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.572 ' CA ' HD12 ' A' ' 86' ' ' LEU . 2.9 mm? -61.85 -63.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.837 ' HD2' HG22 ' A' ' 32' ' ' VAL . 6.3 ptp180 -54.67 -38.48 66.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 8.4 mm-40 -37.22 -55.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.714 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -125.14 47.39 1.02 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.75 HD21 HG21 ' A' ' 97' ' ' VAL . 30.7 mt -155.92 -42.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.824 ' HA ' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -62.12 112.17 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.9 -8.59 63.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 1.097 ' OE1' ' HB3' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -73.71 -166.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.264 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.677 ' O ' ' OE1' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -92.31 164.82 21.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.011 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.58 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -11.37 21.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.31 -54.7 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 1.097 ' HB3' ' OE1' ' A' ' 89' ' ' GLU . . . -53.54 -26.0 19.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.99 HG23 ' CG ' ' A' ' 89' ' ' GLU . 2.3 t -72.36 -56.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.747 HD21 ' HB ' ' A' ' 130' ' ' VAL . 4.4 mm? -57.56 -33.89 68.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -58.51 -13.83 6.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.75 HG21 HD21 ' A' ' 86' ' ' LEU . 45.2 t -83.02 116.55 64.79 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 174.29 13.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.857 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.3 Cg_endo -75.01 -22.44 14.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.05 36.41 4.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.539 ' O ' HD13 ' A' ' 10' ' ' LEU . 31.4 p90 -70.97 -7.56 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.643 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 5.3 p90 -99.3 -16.35 18.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -53.38 149.92 7.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.559 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 57.35 75.01 0.28 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 7.8 m-85 -172.64 -46.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.1 -34.59 1.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -58.74 -16.58 17.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.824 ' HA ' HD11 ' A' ' 116' ' ' LEU . 3.9 tt0 -62.92 -39.68 95.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -94.7 -46.66 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.425 ' CD2' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -43.06 -57.48 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.49 ' HE2' HD23 ' A' ' 107' ' ' LEU . 95.9 m-85 -88.05 14.98 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 111' ' ' PHE . 1.5 p 53.91 168.39 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.509 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -74.96 -37.15 2.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.797 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -69.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -39.06 -44.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.824 HD11 ' HA ' ' A' ' 108' ' ' GLU . 9.6 mt -43.4 -57.98 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.509 ' CD ' ' O ' ' A' ' 113' ' ' PRO . 1.7 mpt_? -38.79 -57.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -55.92 -36.86 68.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.959 HD13 ' CD1' ' A' ' 78' ' ' PHE . 10.6 mt -66.48 -53.35 36.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 121' ' ' ALA . 3.2 mt-10 -42.82 -62.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.581 ' HB1' ' HE ' ' A' ' 125' ' ' ARG . . . -30.97 -45.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -46.42 -65.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.585 HD22 ' HG3' ' A' ' 127' ' ' GLN . 1.3 tm? -57.07 -50.96 71.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 99' ' ' PRO . 11.2 mp -43.36 -58.73 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.581 ' HE ' ' HB1' ' A' ' 121' ' ' ALA . 13.7 mtt-85 -52.88 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.52 HD21 ' HB ' ' A' ' 53' ' ' VAL . 4.6 mt -39.63 -58.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.6 ' HB3' HD13 ' A' ' 95' ' ' LEU . 10.2 mt-30 -51.37 -39.85 57.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -71.7 -23.03 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.572 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 19.7 mt-30 -83.92 -45.0 13.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.747 ' HB ' HD21 ' A' ' 95' ' ' LEU . 93.0 t -58.2 -50.59 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.46 ' HG3' HD11 ' A' ' 95' ' ' LEU . 7.6 mtp180 -42.42 -35.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 136' ' ' SER . 14.1 mmmt -63.21 -45.37 91.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.804 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -53.82 -47.05 71.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 134' ' ' LEU . 6.8 mp -49.59 -39.74 36.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.4 t -120.38 40.18 3.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 132' ' ' LYS . 29.5 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.038 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.521 0.2 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.492 ' CG1' ' HD2' ' A' ' 3' ' ' PRO . 22.3 t -143.07 141.4 19.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.492 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.0 175.61 11.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.809 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.04 -55.9 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -38.9 -43.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.521 HD22 ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.88 -69.91 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -39.26 -30.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' ' C ' ' A' ' 6' ' ' LEU . 1.3 mm-40 -73.86 -57.73 3.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -26.71 60.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.598 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 59.4 mt -82.29 -57.65 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.89 -45.24 67.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' LEU . 54.6 tp -58.62 -41.46 85.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 30.2 t80 -61.84 -64.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -54.81 -26.16 33.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.9 t -80.43 -37.29 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 20.8 mt -67.18 157.46 85.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' LYS . 18.2 Cg_endo -75.0 140.19 25.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -35.67 -69.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -32.94 -56.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' GLN . 13.9 mt -61.54 -53.82 51.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' NE ' ' O ' ' A' ' 16' ' ' LEU . 9.9 mtt180 -38.54 -48.31 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -46.78 -46.34 20.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.055 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 20' ' ' LEU . 2.7 mm100 -66.21 -49.67 66.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.097 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG11 ' HD1' ' A' ' 13' ' ' PHE . 16.9 t -40.66 -65.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.617 HD21 ' CZ ' ' A' ' 13' ' ' PHE . 61.8 mt -39.49 -51.83 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 26' ' ' LEU . 3.4 mm? -57.86 -57.5 12.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.5 mt-10 -38.33 -60.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.814 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.8 m-30 -48.76 -47.37 41.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -60.54 -16.9 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -93.49 -23.32 18.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -97.17 41.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 28' ' ' TYR . 57.4 t -125.86 90.76 49.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 156.31 43.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.21 42.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.455 ' CG ' HD11 ' A' ' 41' ' ' LEU . 18.3 Cg_endo -75.07 169.28 22.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.87 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.96 160.36 40.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.68 3.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.01 -58.4 0.71 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.87 HG11 ' HD2' ' A' ' 36' ' ' PRO . 11.5 p -42.08 137.65 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -96.29 136.25 37.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD11 ' CG ' ' A' ' 35' ' ' PRO . 1.1 mt -118.73 139.67 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.11 128.45 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -70.87 124.8 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -74.96 90.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' CYS . 17.2 m-70 -64.86 -43.31 93.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.643 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.486 ' CB ' ' HB2' ' A' ' 121' ' ' ALA . 7.5 mm-40 -38.29 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -105.64 156.5 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -95.43 47.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -148.59 152.87 38.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 59.67 5.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -102.48 108.94 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.46 ' O ' HG13 ' A' ' 53' ' ' VAL . 3.2 m-85 -102.07 158.33 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.952 ' HB ' HD21 ' A' ' 126' ' ' LEU . 20.6 m -154.46 156.1 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.447 ' N ' HD23 ' A' ' 41' ' ' LEU . 83.0 t60 -145.76 114.14 6.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.664 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.672 ' HB1' ' CG2' ' A' ' 130' ' ' VAL . . . -100.84 136.71 40.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 63' ' ' ARG . 11.6 m-20 -164.63 168.64 17.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.779 ' CG1' ' HB1' ' A' ' 133' ' ' ALA . 0.6 OUTLIER -135.41 126.05 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.81 101.41 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.4 -83.31 0.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.85 18.36 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 24.1 mtmt -138.08 154.12 49.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.8 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 89' ' ' GLU . 1.1 m -94.86 125.25 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.55 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 30.3 mmt180 -88.51 102.67 15.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 64' ' ' LEU . 6.8 mt -81.64 126.68 32.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 75.2 m-85 -128.28 118.82 23.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.599 ' CD1' HG12 ' A' ' 53' ' ' VAL . 66.9 m-85 -119.36 133.46 55.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -133.43 112.17 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.609 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.576 HG13 ' HD2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -136.66 117.5 11.11 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' GLU . 18.1 Cg_endo -75.04 -64.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' PRO . 35.1 t70 -39.24 -29.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.55 ' H ' HG22 ' A' ' 68' ' ' VAL . 3.3 mt-10 68.37 18.9 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 1.035 ' HB3' HG22 ' A' ' 75' ' ' VAL . . . -40.05 127.71 1.63 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.36 19.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.4 p -97.68 -32.49 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 1.035 HG22 ' HB3' ' A' ' 72' ' ' ALA . 8.4 m -82.22 -47.31 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.606 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -59.91 -46.75 88.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.19 -66.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CD1' HD13 ' A' ' 119' ' ' LEU . 2.3 t80 -43.53 -47.24 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.587 ' HB1' ' CG ' ' A' ' 66' ' ' PHE . . . -60.88 -55.82 28.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.615 ' HA2' HG22 ' A' ' 32' ' ' VAL . . . -54.66 -18.5 10.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 tt -83.1 -57.79 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.448 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 8.9 mt -54.31 -31.36 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 27.4 ttt85 -82.28 -13.1 57.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 4.6 mm-40 -97.59 -1.97 42.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.483 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -127.72 -37.51 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.023 HD12 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -93.42 -69.78 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.68 ' C ' ' O ' ' A' ' 86' ' ' LEU . 6.9 tp10 -7.04 111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.68 1.89 87.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.897 ' O ' HG13 ' A' ' 62' ' ' VAL . 12.9 mm-40 -81.57 169.22 17.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.424 ' HB3' ' HD2' ' A' ' 91' ' ' PRO . 1.2 m -75.87 163.17 68.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.051 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.786 ' O ' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.03 -13.15 21.43 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.57 -49.81 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -59.29 -22.16 60.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.023 HG22 HD12 ' A' ' 86' ' ' LEU . 2.5 t -77.48 -44.68 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.828 HD11 ' HG3' ' A' ' 131' ' ' ARG . 4.0 mm? -66.72 -38.16 86.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 1' ' ' MET . 3.1 mm-40 -57.26 -20.64 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.838 HG21 HD11 ' A' ' 86' ' ' LEU . 61.8 t -65.9 117.87 46.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.01 167.91 26.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.641 ' HB3' HD11 ' A' ' 124' ' ' LEU . 18.2 Cg_endo -75.03 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -141.96 53.84 0.63 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.448 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 7.1 p90 -78.88 4.25 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -112.43 -1.44 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -52.72 -56.04 18.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.586 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . -76.73 53.82 3.31 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.598 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 98.2 m-85 -164.44 -163.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -125.42 58.9 0.66 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 10' ' ' LEU . 4.5 mt -99.2 -32.97 10.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -64.4 -36.76 85.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -48.71 -23.94 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -105.66 -48.47 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -91.54 117.44 29.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.8 p -53.39 163.38 0.99 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.28 16.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -50.84 10.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 118' ' ' GLY . 0.2 OUTLIER -63.84 -42.04 97.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.95 -50.58 14.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -50.9 -32.22 19.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 115' ' ' ARG . . . -85.9 -18.68 59.23 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.513 HD13 ' CD1' ' A' ' 78' ' ' PHE . 7.6 mt -85.82 -55.03 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 0.804 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.51 ' O ' HD22 ' A' ' 124' ' ' LEU . 21.3 mm-40 -41.35 -41.84 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.486 ' HB2' ' CB ' ' A' ' 46' ' ' GLU . . . -41.59 -50.14 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 121' ' ' ALA . . . -36.47 -48.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 98' ' ' PRO . 31.9 tp -66.67 -68.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.681 ' H ' HD22 ' A' ' 124' ' ' LEU . 1.5 mm? -40.85 -51.4 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.593 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 3.0 ttt85 -56.35 -65.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.952 HD21 ' HB ' ' A' ' 53' ' ' VAL . 16.7 mt -45.44 -55.87 5.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.672 ' HB3' HD13 ' A' ' 95' ' ' LEU . 93.5 mt-30 -48.84 -34.67 12.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 125' ' ' ARG . . . -65.54 -33.49 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.671 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 28.7 mt-30 -77.42 -45.25 26.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.672 ' CG2' ' HB1' ' A' ' 55' ' ' ALA . 60.7 t -55.56 -50.81 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.828 ' HG3' HD11 ' A' ' 95' ' ' LEU . 4.1 mtt180 -44.93 -34.06 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 10.5 mmmm -63.01 -41.48 99.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.779 ' HB1' ' CG1' ' A' ' 57' ' ' VAL . . . -57.94 -35.67 71.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.3 mt -55.16 -42.97 73.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 66.9 p -104.39 17.4 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.437 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.039 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.536 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.511 0.196 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.878 HG12 ' HA ' ' A' ' 97' ' ' VAL . 5.0 m -132.47 163.27 51.78 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.0 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.02 -56.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' C ' ' HA2' ' A' ' 85' ' ' GLY . 6.6 mmmt -35.98 -35.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -85.81 -65.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 0.3 OUTLIER -40.53 -31.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.36 -59.19 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.45 -34.55 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.661 HD11 ' HD2' ' A' ' 101' ' ' PHE . 76.4 mt -74.73 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -50.77 -50.0 56.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.871 HD13 ' N ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -51.85 -69.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.871 ' N ' HD13 ' A' ' 12' ' ' LEU . 33.4 t80 -37.54 -59.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -52.92 -41.14 64.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . 14.9 t -68.75 -34.86 76.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.746 ' CD1' HD11 ' A' ' 12' ' ' LEU . 20.8 mt -65.06 154.2 87.3 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.556 ' CG ' HD12 ' A' ' 20' ' ' LEU . 18.2 Cg_endo -75.04 138.0 22.35 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -34.79 -69.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -34.39 -55.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.556 HD12 ' CG ' ' A' ' 17' ' ' PRO . 14.8 mt -63.05 -51.43 66.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 9.1 mtt180 -41.4 -55.34 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -41.7 -33.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' LEU . 4.0 mt-30 -74.81 -47.99 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.424 HG21 HD12 ' A' ' 16' ' ' LEU . 66.9 t -47.79 -62.98 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 37.6 mt -43.16 -43.19 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 26' ' ' LEU . 24.4 mt -65.82 -46.77 77.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 30' ' ' ALA . 3.2 mt-10 -54.43 -56.87 14.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.848 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.3 m-30 -42.71 -53.22 4.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -60.52 -32.25 71.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . -72.01 -29.6 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 0.3 OUTLIER -95.63 45.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 28' ' ' TYR . 95.5 t -136.03 96.14 13.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.67 39.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.14 43.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 160.86 39.52 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.556 1.819 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.841 ' HD2' HG11 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.05 164.42 33.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.35 9.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.75 55.88 0.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.841 HG11 ' HD2' ' A' ' 36' ' ' PRO . 11.4 p -161.82 143.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -112.34 127.3 55.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.15 155.3 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -116.31 118.78 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -54.93 141.43 33.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 51' ' ' PHE . 97.7 t -99.11 93.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.36 -35.95 78.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.06 -23.77 14.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -102.96 156.62 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -65.49 -77.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.3 p -58.67 160.88 9.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 18.3 Cg_endo -75.04 80.24 2.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.779 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.3 t80 -88.75 103.89 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 50' ' ' PRO . 11.7 m-85 -90.76 129.11 36.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.855 ' HB ' HD21 ' A' ' 126' ' ' LEU . 24.4 m -135.58 157.65 39.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.451 ' CD2' ' CG2' ' A' ' 39' ' ' VAL . 80.7 t60 -158.25 134.13 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.603 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.66 134.03 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 5.4 m-20 -139.37 173.64 11.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 93.2 t -132.26 122.15 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.03 112.21 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.97 16.34 58.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.75 -4.55 84.99 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -104.73 173.82 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 89' ' ' GLU . 1.1 m -109.41 127.31 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.594 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -87.8 121.12 29.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.679 ' N ' HD12 ' A' ' 64' ' ' LEU . 2.2 mp -97.71 141.52 30.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 63' ' ' ARG . 66.2 m-85 -146.42 119.05 8.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.594 ' HD1' HG12 ' A' ' 53' ' ' VAL . 40.4 m-85 -128.94 139.23 52.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -138.15 113.16 9.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.604 HG21 ' HG3' ' A' ' 76' ' ' LYS . 2.4 t -120.94 119.83 29.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -57.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -16.35 60.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 67.1 26.02 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -42.37 116.39 1.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.542 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -75.04 -10.5 21.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 p -94.77 -24.71 16.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.508 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 23.9 t -94.03 -45.3 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.604 ' HG3' HG21 ' A' ' 68' ' ' VAL . 2.2 tttt -63.46 -40.41 97.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . -44.13 -65.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 3.5 t80 -45.26 -45.0 11.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.582 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -60.17 -47.2 86.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.37 -25.57 62.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD21 HD21 ' A' ' 10' ' ' LEU . 3.0 tp -72.43 -49.92 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.482 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 5.9 mt -57.85 -31.68 66.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 87' ' ' GLU . 13.7 ttt85 -84.0 -11.83 56.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -97.37 -0.9 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.499 ' C ' HD22 ' A' ' 86' ' ' LEU . . . -130.5 -39.0 0.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.005 HD12 HG12 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -93.18 -69.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.262 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 86' ' ' LEU . 1.3 tt0 -1.22 105.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.14 8.42 81.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.902 ' O ' HG13 ' A' ' 62' ' ' VAL . 23.4 mm-40 -89.71 166.68 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.991 ' O ' HG13 ' A' ' 94' ' ' VAL . 97.3 p -79.37 158.76 73.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.715 ' HA ' HG22 ' A' ' 94' ' ' VAL . 18.1 Cg_endo -75.06 -8.04 19.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.37 -32.22 17.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -85.26 -16.75 39.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.005 HG12 HD12 ' A' ' 86' ' ' LEU . 9.0 m -87.54 -47.83 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 91' ' ' PRO . 1.9 mt -57.4 -42.15 81.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.536 ' CG ' ' O ' ' A' ' 1' ' ' MET . 12.8 pt-20 -56.99 -38.82 73.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.878 ' HA ' HG12 ' A' ' 2' ' ' VAL . 49.2 t -57.02 116.19 12.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.416 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.01 172.17 16.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -13.9 21.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.5 36.82 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.661 ' HD2' HD11 ' A' ' 10' ' ' LEU . 29.7 p90 -74.42 -10.59 59.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.87 ' HB2' HD23 ' A' ' 107' ' ' LEU . 37.5 p90 -94.51 -14.83 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -50.69 137.26 20.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 105' ' ' TYR . . . 61.3 78.2 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 104' ' ' GLY . 4.6 m-85 -171.16 -47.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 155.98 -40.28 0.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.87 HD23 ' HB2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -48.2 -53.98 15.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.66 ' HA ' HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -48.04 -29.6 3.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.55 -60.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.432 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -45.5 -64.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.601 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 17.6 m-85 -80.2 139.79 36.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 112' ' ' THR . 27.6 p -62.86 160.85 33.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -10.39 21.15 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.94 -53.5 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -67.83 -27.12 66.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.672 HD22 ' CZ ' ' A' ' 102' ' ' TYR . 4.4 mt -61.14 -48.09 83.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -39.27 -46.46 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' LEU . . . -69.29 -56.69 8.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.577 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 1.4 mp -39.91 -35.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.25 -53.45 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.694 ' HA ' HD12 ' A' ' 124' ' ' LEU . . . -42.52 -44.29 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.01 -65.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.577 HD21 ' O ' ' A' ' 97' ' ' VAL . 42.3 tp -49.0 -57.53 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 121' ' ' ALA . 4.3 mt -45.57 -61.83 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.3 OUTLIER -51.1 -59.36 4.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.855 HD21 ' HB ' ' A' ' 53' ' ' VAL . 6.1 mt -47.14 -47.14 23.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 63.5 mt-30 -64.17 -26.06 68.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' ARG . . . -77.16 -18.93 57.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -89.87 -25.68 20.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 126' ' ' LEU . 60.0 t -76.92 -46.83 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -47.91 -26.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 135' ' ' THR . 17.3 mmmt -77.6 -38.2 48.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 130' ' ' VAL . . . -65.82 -36.12 82.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.96 -41.93 68.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 132' ' ' LYS . 12.8 t -85.44 11.56 10.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 stop_ save_